7-Hydroxycoumarin - ≥99% , CAS No.93-35-6

CAS: 93-35-6 Cat. No.: H109352 Fórmula: C₉H₆O₃ Peso molecular: 162.14 Beilstein Registry Number: 127683 Número EC: 202-240-3

CALIDAD & PUREZA ≥99%

Synonyms

Dichrin A|SDCCGMLS-0066941.P001|UMBELLIFERONE [MI]|7-Oxycoumarin|Skimmetine|7 OH COUMARIN|beta-Umbelliferone|7-hydroxy coumarin|Umbelliferone (Hydrangin, Skimmetin)|7-hydroxycoumarin|7-hydroxy-coumarin|7-hydroxy-1-benzopyran-2-one|7-HC|2H-1-Benzopyran-2-one, 7-hydroxy-|7-Hydroxy Coumarin ,(S)|7-hydroxycoumarine|7-hydroxy-coumarine|Umbelliferone; 7-Hydroxy-2H-1-benzopyran-2-one; 7-Oxycoumarin; Hydrangin; Skimmetin|7 HC|7-hydroxy-chromen-2-one|7-hydroxychromen-2-one|Coumarin derivative, 3a|7-Hydroxy-2-chromenone|Umbelliferone|U-3000|2-Hydroxy-7H-chromen-7-one|7-hydroxycoumarin, 14C-labeled|BIDD:PXR0126|7-hydroxycumarin|.beta.-Umbelliferone|UMBELLIFERONE [WHO-DD]|Coumarin, 7-hydroxy-|7-hydroxycournarin|7-Hydroxy-2H-chromen-2-one|7-Hydroxy-2H-1-benzopyran-2-one|beta -umbelliferone|Umbelliferon|7-Hydroxycoumarin;Hydrangin;NSC 19790|Hydrangin|Skimmetin

Storage

Room temperature

Shipped In

Normal

Descripción general

An intracellular pH sensitive fluorescent indicator & bloodbrain barrier probe

Especificaciones

Sinónimos

Dichrin A | SDCCGMLS-0066941.P001 | UMBELLIFERONE [MI] | 7-Oxycoumarin | Skimmetine | 7 OH COUMARIN | beta-Umbelliferone | 7-hydroxy coumarin | Umbelliferone (Hydrangin, Skimmetin) | 7-hydroxycoumarin | 7-hydroxy-coumarin | 7-hydroxy-1-benzopyran-2-one | 7-HC | 2H-1-Benzopyran-2-one, 7-hydroxy- | 7-Hydroxy Coumarin ,(S) | 7-hydroxycoumari Show more

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

Pubchem Sid

504763357

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504763357

Sonrisas canónicas

C1=CC(=CC2=C1C=CC(=O)O2)O

IUPAC Name

7-hydroxychromen-2-one

InChIKey

ORHBXUUXSCNDEV-UHFFFAOYSA-N

INCHI

1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H

Isómeros SMILES

C1=CC(=CC2=C1C=CC(=O)O2)O

WGK Alemania

3

RTECS

GN6820000

Peso molecular

162.14

Beilstein

127683

Reaxy-Rn

127683

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=127683&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Coumarins and derivatives
      • Subclass Hydroxycoumarins

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Coumarins and derivatives
• Subclass: Hydroxycoumarins
• Intermediate Tree Nodes: Not available
• Direct Parent: 7-hydroxycoumarins
• Alternative Parents: 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: 7-hydroxycoumarin - Benzopyran - 1-benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Lactone - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 7-hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to the C7 position the coumarin skeleton.
• External Descriptors: a coumarin

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Objetivos asociados (humanos)

CA12 Tclin Carbonic anhydrase 12 (3 Activities)

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CA9 Tclin Carbonic anhydrase 9 (4 Activities)

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CA2 Tclin Carbonic anhydrase II (17698 Activities)

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TYR Tclin Tyrosinase (717 Activities)

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SRD5A1 Tclin Steroid 5-alpha-reductase 1 (755 Activities)

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ACHE Tclin Acetylcholinesterase (18204 Activities)

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PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)

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XDH Tclin Xanthine dehydrogenase (1038 Activities)

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AKR1B1 Tclin Aldose reductase (1404 Activities)

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CA1 Tclin Carbonic anhydrase I (13240 Activities)

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APP Tclin Amyloid-beta A4 protein (8510 Activities)

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GLA Tclin Alpha-galactosidase A (5444 Activities)

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AHR Tclin Aryl hydrocarbon receptor (1071 Activities)

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GBA1 Tclin Beta-glucocerebrosidase (14647 Activities)

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GAA Tclin Lysosomal alpha-glucosidase (35701 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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STS Tchem Steryl-sulfatase (1865 Activities)

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SORD Tchem Sorbitol dehydrogenase (133 Activities)

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HSD17B1 Tchem Estradiol 17-beta-dehydrogenase 1 (2224 Activities)

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CASP1 Tchem Caspase-1 (6235 Activities)

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GAPDH Tchem Glyceraldehyde-3-phosphate dehydrogenase liver (1284 Activities)

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CASP7 Tchem Caspase-7 (3146 Activities)

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CA12 Tclin Carbonic anhydrase XII (6231 Activities)

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BACE1 Tchem Beta-secretase 1 (15641 Activities)

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UGT1A4 Tbio UDP-glucuronosyltransferase 1A4 (288 Activities)

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CA9 Tclin Carbonic anhydrase IX (8255 Activities)

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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)

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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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KM12 (47707 Activities)

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LoVo (4724 Activities)

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M14 (47487 Activities)

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MCF7 (126967 Activities)

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MOLT-4 (49676 Activities)

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MT4 (17854 Activities)

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OVCAR-3 (48710 Activities)

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OVCAR-4 (44535 Activities)

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OVCAR-5 (45555 Activities)

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OVCAR-8 (47708 Activities)

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PANC-1 (6144 Activities)

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PC-3 (62116 Activities)

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PSN1 (345 Activities)

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RPMI-8226 (44974 Activities)

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RXF 393 (41971 Activities)

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SF-295 (48000 Activities)

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SK-MEL-2 (46422 Activities)

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SK-MEL-28 (48833 Activities)

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Objetivos asociados (no humanos)

Hsd11b1 11-beta-hydroxysteroid dehydrogenase 1 (202 Activities)

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Cruzipain (33337 Activities)

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Abcc1 Multidrug resistance-associated protein 1 (42 Activities)

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Hsd11b2 11-beta-hydroxysteroid dehydrogenase 2 (82 Activities)

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Cryz Quinone oxidoreductase (288 Activities)

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Salmonella typhimurium (15756 Activities)

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Micrococcus luteus (7463 Activities)

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Staphylococcus aureus (210822 Activities)

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Escherichia coli (133304 Activities)

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Aspergillus flavus (8875 Activities)

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Bacillus subtilis (32866 Activities)

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Mycobacterium tuberculosis (203094 Activities)

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Bacillus cereus (7522 Activities)

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Aspergillus fumigatus (16427 Activities)

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Entamoeba histolytica (2676 Activities)

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Dermatophagoides pteronyssinus (58 Activities)

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Leishmania donovani (89745 Activities)

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Trypanosoma cruzi (99888 Activities)

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Mus musculus (284745 Activities)

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Rattus norvegicus (775804 Activities)

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Influenza A virus (11224 Activities)

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Trypanosoma brucei rhodesiense (7991 Activities)

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Botrytis cinerea (4183 Activities)

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3T3-L1 (3664 Activities)

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P388 (20296 Activities)

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Vero (26788 Activities)

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C6 (2371 Activities)

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J774 (3120 Activities)

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V79 (1637 Activities)

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LOX1.1 Seed lipoxygenase-1 (463 Activities)

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GCN5 Histone acetyltransferase GCN5 (89 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Glyceraldehyde-3-phosphate dehydrogenase, glycosomal (75 Activities)

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

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BCHE Cholinesterase (8742 Activities)

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Colletotrichum gloeosporioides (560 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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NtBBF1.1 Zn finger protein (22 Activities)

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FTL Ferritin light chain (43324 Activities)

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Mythimna separata (3306 Activities)

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Colletotrichum acutatum (300 Activities)

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Diaporthe ampelina (88 Activities)

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Phomopsis obscurans (86 Activities)

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DHODH Dihydroorotate dehydrogenase (fumarate) (195 Activities)

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Melan-a (81 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water (slightly at 20 °C), 95% ethanol (50 mg/ml), chloroform, acetone, and methanol.
• Punto de fusión (°C): 228-234°C
• Peso molecular: 162.140 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 162.032 Da
• Monoisotopic Mass: 162.032 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 222.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 93-35-6, the molecular formula is C9H6O3, and the molecular weight is 162.14 g/mol. InChIKey ORHBXUUXSCNDEV-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.