Indole-3-carbinol - Moligand™, ≥96% , Agonist of Aryl hydrocarbon receptor, CAS No.700-06-1, Agonist of Aryl hydrocarbon receptor

CAS: 700-06-1 Cat. No.: I105220 Molecular Weight: 147.17 EC Number: 211-836-2
AVAILABLE TO ORDER
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥96%
Synonyms
HMS1789O22 | INDOLE-3-CARBINOL [WHO-DD] | SCHEMBL195520 | KBio3_002949 | NSC525801 | NSC-525801 | s2313 | 1H-Indol-3-Yl-Methanol | A836732 | 3-Indolylmethanol | FXK | HMS3651I18 | BRD-K01815685-001-07-2 | MLS001333161 | NCGC00090701-01 | Spectrum3_001973
Storage
Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads
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Size
Status
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1g
I105220-1g
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I105220-5g
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25g
I105220-25g
2

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100g
I105220-100g
2

$25.90

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500g
I105220-500g
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Why this grade

Moligand™, ≥96% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C,Argon charged Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 7 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Indole-3-carbinol is a novel secondary plant metabolite produced in cruciferous vegetables, such as cabbage, cauliflower and brussels sprouts.

Specifications

Synonyms
HMS1789O22 | INDOLE-3-CARBINOL [WHO-DD] | SCHEMBL195520 | KBio3_002949 | NSC525801 | NSC-525801 | s2313 | 1H-Indol-3-Yl-Methanol | A836732 | 3-Indolylmethanol | FXK | HMS3651I18 | BRD-K01815685-001-07-2 | MLS001333161 | NCGC00090701-01 | Spectrum3_001973
Specifications & Purity
Moligand™, ≥96%
Biochemical and Physiological Mechanisms
Suppress carcinogenesis at the initial stage. It has been proved that it can inhibit the occurrence of cancer in several animals, but it will increase the incidence of cancer if it is administered at the post-onset stage. Found in cruciferous vegetables.
Storage
Store at -20°C, Argon charged
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Action Type
AGONIST
Mechanism of action
Agonist of Aryl hydrocarbon receptor
Note
Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
Purity
≥96%
Names and Identifiers
Pubchem Sid504750703
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504750703
Canonical SmilesC1=CC=C2C(=C1)C(=CN2)CO
IUPAC Name1H-indol-3-ylmethanol
InChIKeyIVYPNXXAYMYVSP-UHFFFAOYSA-N
INCHI1S/C9H9NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-5,10-11H,6H2
Isomeric SMILES C1=CC=C2C(=C1)C(=CN2)CO
RTECS NL9483000
Alternate CAS 123334-15-6
Molecular Weight 147.17
Reaxy-Rn 121323
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=121323&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 →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassIndoles and derivatives
SubclassIndoles
Intermediate Tree Nodes Not available
Direct Parent3-alkylindoles
Alternative Parents Substituted pyrroles  Benzenoids  Heteroaromatic compounds  Azacyclic compounds  Primary alcohols  Organopnictogen compounds  Organonitrogen compounds  Hydrocarbon derivatives  Aromatic alcohols  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 3-alkylindole - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Azacycle - Alcohol - Hydrocarbon derivative - Organopnictogen compound - Aromatic alcohol - Organic oxygen compound - Organic nitrogen compound - Primary alcohol - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position.
External Descriptors an indole-phytolexin
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
AHR Tclin Aryl hydrocarbon receptor (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ESR1 Tclin Estrogen receptor alpha (17718 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ACHE Tclin Acetylcholinesterase (18204 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CXCL8 Tchem Interleukin-8 (642 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PIN1 Tchem Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (36611 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
U-251 (51189 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ABCC2 Tchem Canalicular multispecific organic anion transporter 1 (1191 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GPR84 Tchem G-protein coupled receptor 84 (1284 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KPNB1 Tbio Importin subunit beta-1/Snurportin-1 (25097 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
ampC Beta-lactamase AmpC (62480 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Sult1a1 Aryl sulfotransferase (136 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plenodomus lingam (178 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
lef Anthrax lethal factor (7585 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Luciferin 4-monooxygenase (66902 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BCHE Cholinesterase (8742 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Abcb1 Multidrug resistance protein 1 (79 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TGR Thioredoxin glutathione reductase (28579 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Slco1a4 Solute carrier organic anion transporter family member 1A4 (114 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
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.

11 results found

Lot NumberCertificate TypeDateItem
C1822115Certificate of AnalysisOct 14, 2025 I105220
C1822114Certificate of AnalysisOct 14, 2025 I105220
L2116307Certificate of AnalysisSep 17, 2025 I105220
I2130292Certificate of AnalysisJul 10, 2025 I105220
I2526428Certificate of AnalysisJul 13, 2024 I105220
I2526423Certificate of AnalysisJul 13, 2024 I105220
J2513784Certificate of AnalysisJul 13, 2024 I105220
D2017020Certificate of AnalysisFeb 21, 2024 I105220
D2327041Certificate of AnalysisNov 27, 2021 I105220
G2404017Certificate of AnalysisNov 27, 2021 I105220
G2509095Certificate of AnalysisNov 27, 2021 I105220

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Chemical and Physical Properties
SolubilitySoluble in Methanol
SensitivityAir & Light & Heat Sensitive
Melt Point(°C)96-99°C
Molecular Weight147.170 g/mol
XLogP31.100
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass147.068 Da
Monoisotopic Mass147.068 Da
Topological Polar Surface Area36.000 Ų
Heavy Atom Count11
Formal Charge0
Complexity138.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Documents & Articles
Citations of This Product
References
1. Wenxiu Zheng, Wenhao Wang, Desheng Fu, Tianyu Zhang, Zhengrui Liang, Ling Yan, Changhong Liu, Lei Zheng.  (2022)  Microwave bag cooking affects the quality, glucosinolates content and hydrolysate production of broccoli florets.  FOOD RESEARCH INTERNATIONAL,      [PMID:36738020] [10.1016/j.foodres.2022.112401]
2. Wenxiu Zheng, Lin Ren, Wenzhuo Hao, Lei Wang, Changhong Liu, Lei Zheng.  (2022)  Encapsulation of indole-3-carbinol in Pickering emulsions stabilized by OSA-modified high amylose corn starch: Preparation, characterization and storage stability properties.  FOOD CHEMISTRY,      [PMID:35381538] [10.1016/j.foodchem.2022.132846]
3. Jia Cheng Qian, Dan Liu, Li Ping Lin, Wen Jing Zhu, Ren Xiang Tan.  (2022)  Minor bioactive indoles from kimchi mirror the regioselectivity in indole-3-carbinol oligomerization.  FOOD CHEMISTRY,      [PMID:35245758] [10.1016/j.foodchem.2022.132571]
4. Wen Jing Zhu, Li Ping Lin, Dan Liu, Jia Cheng Qian, Bei Bei Zhou, Dan Dan Yuan, Ren Xiang Tan.  (2021)  Pharmacophore-inspired discovery of FLT3 inhibitor from kimchi.  FOOD CHEMISTRY,      [PMID:34062461] [10.1016/j.foodchem.2021.130139]
5. Luyao Yang, Shuangshuang Wang, Jing Jin, Jiahui Wang, Wenyue Chen, Yun Xue, Liang Sheng, Yongning Zhai, Weifeng Yao.  (2024)  Sucralose triggers insulin resistance leading to follicular dysplasia in mice.  REPRODUCTIVE TOXICOLOGY,      [PMID:38880404] [10.1016/j.reprotox.2024.108644]
6. Yi Zheng, Qing-qing Chen, Hai-xiang Guo, Yu-xin Zhang, Ling-ling Qiu, Bing-bing Wang, Song Yu, Jia-rui Gao, Zhe Zhang, Jia-bao Zhang, Guo-shi Liu, Bao Yuan.  (2026)  Melatonin Promotes the Synthesis and Secretion of Growth Hormone in the Adenohypophysis by Activating the cAMP/FOXO1 Pathway.  JOURNAL OF PINEAL RESEARCH,  78  (2): (e70139).  [PMID:41870323] [10.1111/jpi.70139]
7. Mengxi Xiang, Cheng Zhou, Chundong Yao, Jia Liu, Lin Wang, Zheng Wang.  (2026)  A Self-Assembled Irinotecan Nanomedicine Abrogates Steatohepatitis-Induced Liver Metastasis and Potentiates Antitumor Efficacy against Colorectal Cancer.  ACS Nano,      [PMID:] [10.1021/acsnano.6c00855]
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