Determine the necessary mass, volume, or concentration for preparing a solution.
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
224,000+ research products · Triple ISO certified · COA & SDS available for every product · Same-day shipping on in-stock items
Why this grade
Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Room temperature Ships Normal Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 15 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications
Synonyms
Esculetin
Specifications & Purity
Moligand™, ≥98%
Storage
Room temperature
Shipped In
Normal
Grade
Moligand™
Action Type
INHIBITOR
Mechanism of action
Inhibitor of CYP2A6
Purity
≥98%
Names and Identifiers
| Pubchem Sid | 504763355 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504763355 |
| Canonical Smiles | C1=CC(=O)OC2=CC(=C(C=C21)O)O |
| IUPAC Name | 6,7-dihydroxychromen-2-one |
| InChIKey | ILEDWLMCKZNDJK-UHFFFAOYSA-N |
| INCHI | 1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H |
| Isomeric SMILES | C1=CC(=O)OC2=CC(=C(C=C21)O)O |
| WGK Germany | 3 |
| RTECS | GN6382500 |
| Molecular Weight | 178.14 |
| Beilstein | 152788 |
| Reaxy-Rn | 152788 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=152788&ln= |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
- Class Coumarins and derivatives
- Subclass Hydroxycoumarins
- Class Coumarins and derivatives
- Superclass Phenylpropanoids and polyketides
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| Class | Coumarins and derivatives |
| Subclass | Hydroxycoumarins |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 6,7-dihydroxycoumarins |
| Alternative Parents | 7-hydroxycoumarins 1-benzopyrans Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Lactones Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 6,7-dihydroxycoumarin - 7-hydroxycoumarin - Benzopyran - 1-benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Lactone - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 6,7-dihydroxycoumarins. These are coumarins bearing two hydroxyl groups at positions 6 and 7 of the coumarin skeleton, respectively. |
| External Descriptors | a coumarin |
3D Structure
Interactive Chemical Structure Model
Associated Targets(Human)
CYP2A6 Tchem Cytochrome P450 2A6 (0 Activities)
CA12 Tclin Carbonic anhydrase 12 (1 Activities)
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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CA9 Tclin Carbonic anhydrase 9 (1 Activities)
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
CA2 Tclin Carbonic anhydrase II (17698 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
XDH Tclin Xanthine dehydrogenase (1038 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
AKR1B1 Tclin Aldose reductase (1404 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
CA1 Tclin Carbonic anhydrase I (13240 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
MIF Tchem Macrophage migration inhibitory factor (979 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
GLA Tclin Alpha-galactosidase A (5444 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
GBA1 Tclin Beta-glucocerebrosidase (14647 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
GAA Tclin Lysosomal alpha-glucosidase (35701 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
SORD Tchem Sorbitol dehydrogenase (133 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
CASP1 Tchem Caspase-1 (6235 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
MPI Tchem Mannose-6-phosphate isomerase (940 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
CASP7 Tchem Caspase-7 (3146 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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CA12 Tclin Carbonic anhydrase XII (6231 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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BACE1 Tchem Beta-secretase 1 (15641 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
UGT1A4 Tbio UDP-glucuronosyltransferase 1A4 (288 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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CA9 Tclin Carbonic anhydrase IX (8255 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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A498 (42825 Activities)
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ACHN (49357 Activities)
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CAKI-1 (44928 Activities)
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CCRF-CEM (65223 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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COLO 205 (50209 Activities)
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DU-145 (51482 Activities)
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HL-60 (67320 Activities)
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HT-29 (80576 Activities)
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K562 (73714 Activities)
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KM12 (47707 Activities)
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M14 (47487 Activities)
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MCF7 (126967 Activities)
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MOLT-4 (49676 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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OVCAR-3 (48710 Activities)
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OVCAR-4 (44535 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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OVCAR-5 (45555 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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OVCAR-8 (47708 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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PC-3 (62116 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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RPMI-8226 (44974 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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RXF 393 (41971 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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SF-295 (48000 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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SK-MEL-2 (46422 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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SK-MEL-28 (48833 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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SK-MEL3 (228 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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SK-MEL-5 (47095 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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SK-OV-3 (52876 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Associated Targets(non-human)
Agrobacterium tumefaciens (620 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Aspergillus flavus (8875 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Aspergillus fumigatus (16427 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Artemia (698 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Mus musculus (284745 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Human alphaherpesvirus 1 (11089 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Human immunodeficiency virus (3636 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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RAW264.7 (28094 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Vero (26788 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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C6 (2371 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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lef Anthrax lethal factor (7585 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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srtA Sortase A (641 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Large T antigen (1457 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Mapt Microtubule-associated protein tau (6 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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fba Putative fructose-1,6-bisphosphate aldolase (15559 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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FTL Ferritin light chain (43324 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Mechanisms of Action
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 G1731067 | Certificate of Analysis | Mar 04, 2025 | D118867 |
| F2421177 | Certificate of Analysis | Apr 01, 2024 | D118867 |
| F2421176 | Certificate of Analysis | Apr 01, 2024 | D118867 |
| C2426153 | Certificate of Analysis | Mar 01, 2024 | D118867 |
| F2514017 | Certificate of Analysis | Mar 01, 2024 | D118867 |
| F2514004 | Certificate of Analysis | Mar 01, 2024 | D118867 |
| I2424036 | Certificate of Analysis | Mar 01, 2024 | D118867 |
| C2531011 | Certificate of Analysis | Mar 01, 2024 | D118867 |
| C2426151 | Certificate of Analysis | Mar 01, 2024 | D118867 |
| C2426150 | Certificate of Analysis | Mar 01, 2024 | D118867 |
| C2426142 | Certificate of Analysis | Mar 01, 2024 | D118867 |
| B2626014 | Certificate of Analysis | Mar 01, 2024 | D118867 |
| A2616155 | Certificate of Analysis | Mar 01, 2024 | D118867 |
| B1921038 | Certificate of Analysis | Dec 12, 2022 | D118867 |
| B1921037 | Certificate of Analysis | Dec 12, 2022 | D118867 |
| F2316949 | Certificate of Analysis | Aug 18, 2022 | D118867 |
| J2215258 | Certificate of Analysis | Aug 18, 2022 | D118867 |
| A2416033 | Certificate of Analysis | Aug 15, 2022 | D118867 |
| J2215244 | Certificate of Analysis | Aug 15, 2022 | D118867 |
| F2316944 | Certificate of Analysis | Aug 15, 2022 | D118867 |
| J2215271 | Certificate of Analysis | Aug 15, 2022 | D118867 |
| J2215276 | Certificate of Analysis | Aug 15, 2022 | D118867 |
| J2215279 | Certificate of Analysis | Aug 15, 2022 | D118867 |
Show more ⌵
Chemical and Physical Properties
| Solubility | Insoluble in Ether |
|---|---|
| Sensitivity | heat sensitive |
| Melt Point(°C) | 270°C |
| Molecular Weight | 178.140 g/mol |
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 178.027 Da |
| Monoisotopic Mass | 178.027 Da |
| Topological Polar Surface Area | 66.800 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 248.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Documents & Articles
Wnt Signaling
Categories: Technical articles
Coumarins at a Glance: Structural Classification, Key Properties, and Experimental Selection (Tables 1–3)
Categories: Technical articles
Citations of This Product
References
| 1. Shuai-Nan Zhang, Qi Liu, Xu-Zhao Li, Wu-De Yang, Ying Zhou. (2023) Sophora tonkinensis and active compounds inhibit mitochondrial impairments, inflammation, and LDLR deficiency in myocardial ischemia mice through regulating the vesicle-mediated transport pathway. FITOTERAPIA, [PMID:38007052] [10.1016/j.fitote.2023.105756] |
| 2. Zhang Shuai-nan, Liu Qi, Li Xu-zhao, Yang Wu-de, Zhou Ying. (2023) Cardioprotection of Eucommiae Folium: the extract and pharmaceutically active compounds attenuate hyperglycemia, mitochondrial dysfunction, calcium dyshomeostasis, insulin resistance, and oxidative stress in diabetic cardiomyopathy db/db mice. JOURNAL OF PHARMACY AND PHARMACOLOGY, 75 (12): (1509-1520). [PMID:37889854] [10.1093/jpp/rgad095] |
| 3. Ji Ma, Yang Deng, Tingting Yang, Maoru Li, Jing Shang. (2023) Esculetin Alleviates Nonalcoholic Fatty Liver Disease on High-Cholesterol-Diet-Induced Larval Zebrafish and FFA-Induced BRL-3A Hepatocyte. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 24 (2): (1593). [PMID:36675107] [10.3390/ijms24021593] |
| 4. Yin Lu, Yuan Zhang, Kan Zhang. (2022) Renewable biomass resources to access halogen- and phosphorus-free flame retardant thermosets with ultra-low heat release capacity. CHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.cej.2022.137670] |
| 5. Guoyan Liu, Wenqi Zhu, Sitong Li, Wanli Zhou, Huijuan Zhang, Jing Wang, Xiaofang Liu, Jixian Zhang, Li Liang, Xin Xu. (2021) Antioxidant capacity and interaction of endogenous phenolic compounds from tea seed oil. FOOD CHEMISTRY, [PMID:34968910] [10.1016/j.foodchem.2021.131940] |
| 6. Bi Wang, Pirui Li, Shu Xu, Lanying Liu, Yannan Xu, Xu Feng, Xingzeng Zhao, Yu Chen. (2021) Inhibitory Effects of the Natural Product Esculetin on Phytophthora capsici and Its Possible Mechanism. PLANT DISEASE, 105 (6): [PMID:33332162] [10.1094/PDIS-09-20-2054-RE] |
| 7. Yuanyang Dong, Qihang Hou, Meng Sun, Jingjing Sun, Bingkun Zhang. (2020) Targeted Isolation of Antioxidant Constituents from Plantago asiatica L. and In Vitro Activity Assay. MOLECULES, 25 (8): (1825). [PMID:32316264] [10.3390/molecules25081825] |
| 8. Yang Wang, Chennong Xiang, Ting Li, Piming Ma, Huiyu Bai, Yi Xie, Mingqing Chen, Weifu Dong. (2017) Enhanced Thermal Stability and UV-Shielding Properties of Poly(vinyl alcohol) Based on Esculetin. JOURNAL OF PHYSICAL CHEMISTRY B, [PMID:28085278] [10.1021/acs.jpcb.6b11453] |
| 9. Lingzhi Zhao, Liu Zhao, Yanqing Miao, Chunye Liu, Chenxiao Zhang. (2016) Construction of a Turn Off-On-Off Fluorescent System Based on Competitive Coordination of Cu2+ between 6,7-Dihydroxycoumarin and Pyrophosphate Ion for Sensitive Assay of Pyrophosphatase Activity. Journal of Analytical Methods in Chemistry, [PMID:27766179] [10.1155/2016/4306838] |
| 10. Huichao Li, Lu Wang, Kai Sheng, Lina Zou, Baoxian Ye. (2016) Highly sensitive determination of esculetin on TiO2-NPs-coated poly(diallyldimethylammonium chloride)-functionalized graphene modified electrode. TALANTA, [PMID:27769491] [10.1016/j.talanta.2016.09.050] |
| 11. Dingli Ye, Junqiang Hao, Rongxu Zhang, Yangyang Zhou, Shurong Chen, Weijian Zhang, Lei Zhao, Jiahan Xie, Zhibing Wang. (2024) Optimization of ultrasonic-assisted supramolecular solvent microextraction of coumarins from Cortex fraxini using response surface methodology combined with artificial neural network-genetic algorithm. JOURNAL OF CHROMATOGRAPHY A, [PMID:38320432] [10.1016/j.chroma.2024.464692] |
| 12. Zhang Zejun, Shi Fan, Ai Yijing, Li Xiaoqing, Zhang Dan, Wang Lisi, Sun Wei. (2024) Portable wireless electrochemical sensing of breviscapine using core–shell ZIFs-derived Co nanoparticles embedded in N-doped carbon nanotube polyhedra-modified electrode. MICROCHIMICA ACTA, 191 (5): (1-12). [PMID:38683258] [10.1007/s00604-024-06298-0] |
| 13. Cheng Yang, Haijun Yan, Qianhe Huang, Wenge Yang, Yonghong Hu. (2024) Solubility Determination and Thermodynamic Model Analysis of Esculetin in Different Solvents from 273.15 to 318.15 K. JOURNAL OF CHEMICAL AND ENGINEERING DATA, [PMID:] [10.1021/acs.jced.3c00771] |
| 14. Pham Thi Nhat Trinh, Tong Thanh Danh, Do Chiem Tai, Phung Van Trung, Luu Hong Truong, Dang Thi Le Hang, Truong Minh Dung, Le Tien Dung. (2025) Ethnopharmacological and scientific validation of Caryota mitis Lour fruit peel for osteoarthritis and gout management. JOURNAL OF ETHNOPHARMACOLOGY, [PMID:40436126] [10.1016/j.jep.2025.120043] |
| 15. Cheng Chen, Yu Wang, Kai Hao, Zhe Zhao. (2025) Mechanistic elucidation of Esculetin's anti-WSSV activity and its application potential in sustainable aquaculture. AQUACULTURE, [PMID:] [10.1016/j.aquaculture.2025.743519] |
Solution Calculators
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