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Indole-3-carbinol - 96%, high purity , CAS No.700-06-1, Agonist of Aryl hydrocarbon receptor

6 Citations COA COA
In stock
Item Number
I105220
Grouped product items
SKU Size
Availability
 Price Qty
I105220-1g
1g
Available within 4-8 weeks(?)
Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!
$82.90
I105220-5g
5g
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$373.90
I105220-25g
25g
2
$1,680.90
I105220-100g
100g
2
$6,050.90
I105220-500g
500g
Available within 4-8 weeks(?)
Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!
$27,228.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet

Phytochemical. Anticancer agent.

View related series
Amino Acid/Protein Metabolism (1836) Aryl Hydrocarbon Receptor (60) Aryl hydrocarbon receptor Agonist (4) E1/E2/E3 Enzyme (112) Immunology/Inflammation (1929) Metabolic Enzyme/Protease (4860) Metabolite (5307) NF-κB (747)

Basic Description

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 Temp 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.
Product Description

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

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organoheterocyclic compounds
Class Indoles and derivatives
Subclass Indoles
Intermediate Tree Nodes Not available
Direct Parent 3-alkylindoles
Alternative Parents Substituted pyrroles  Benzenoids  Heteroaromatic compounds  Azacyclic compounds  Primary alcohols  Organopnictogen compounds  Organonitrogen compounds  Hydrocarbon derivatives  Aromatic alcohols  
Molecular Framework Aromatic 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
Description This 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

Associated Targets(Human)

AHR Tclin Aryl hydrocarbon receptor (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
ESR1 Tclin Estrogen receptor alpha (17718 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ACHE Tclin Acetylcholinesterase (18204 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CXCL8 Tchem Interleukin-8 (642 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PIN1 Tchem Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (36611 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
U-251 (51189 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HepG2 (196354 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ABCC2 Tchem Canalicular multispecific organic anion transporter 1 (1191 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GPR84 Tchem G-protein coupled receptor 84 (1284 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
KPNB1 Tbio Importin subunit beta-1/Snurportin-1 (25097 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

ampC Beta-lactamase AmpC (62480 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Sult1a1 Aryl sulfotransferase (136 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Hdac6 Histone deacetylase 6 (222 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Plenodomus lingam (178 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
lef Anthrax lethal factor (7585 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Luciferin 4-monooxygenase (66902 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
BCHE Cholinesterase (8742 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Abcb1 Multidrug resistance protein 1 (79 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TGR Thioredoxin glutathione reductase (28579 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Slco1a4 Solute carrier organic anion transporter family member 1A4 (114 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

Pubchem Sid 504750703
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504750703
IUPAC Name 1H-indol-3-ylmethanol
INCHI InChI=1S/C9H9NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-5,10-11H,6H2
InChIKey IVYPNXXAYMYVSP-UHFFFAOYSA-N
Smiles C1=CC=C2C(=C1)C(=CN2)CO
Isomeric SMILES C1=CC=C2C(=C1)C(=CN2)CO
RTECS NL9483000
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=

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.

5 results found

Lot Number Certificate Type Date Item
D2017020 Certificate of Analysis Feb 21, 2024 I105220
C1822114 Certificate of Analysis Jan 19, 2022 I105220
C1822115 Certificate of Analysis Jan 19, 2022 I105220
G2404017 Certificate of Analysis Nov 27, 2021 I105220
D2327041 Certificate of Analysis Nov 27, 2021 I105220

Chemical and Physical Properties

Solubility Soluble in Methanol
Sensitivity Air & Light & Heat Sensitive
Melt Point(°C) 96-99°C
Molecular Weight 147.170 g/mol
XLogP3 1.100
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 1
Exact Mass 147.068 Da
Monoisotopic Mass 147.068 Da
Topological Polar Surface Area 36.000 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 138.000
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

Solution Calculators

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