CHEBI:24814 - indole-3-methanol

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ChEBI Name indole-3-methanol
ChEBI ID CHEBI:24814
Definition An indolyl alcohol carrying a hydroxymethyl group at position 3. It is a constituent of the cruciferous vegetables and had anticancer activity.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB7295605, eMolecules:539712, Selleckchem:Indole-3-carbinol, ZINC000000158743
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Formula C9H9NO
Net Charge 0
Average Mass 147.17390
Monoisotopic Mass 147.06841
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 OCc1c[nH]c2ccccc12
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
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ChEBI Ontology
Outgoing indole-3-methanol (CHEBI:24814) has role antineoplastic agent (CHEBI:35610)
indole-3-methanol (CHEBI:24814) has role plant metabolite (CHEBI:76924)
indole-3-methanol (CHEBI:24814) is a indolyl alcohol (CHEBI:38467)
Incoming γGluCys(4MeOI3M)Gly (CHEBI:65007) has functional parent indole-3-methanol (CHEBI:24814)
IUPAC Name
1H-indol-3-ylmethanol
Synonyms Sources
3-hydroxymethylindole ChemIDplus
3-indolylcarbinol ChemIDplus
indole-3-carbinol ChemIDplus
indole-3-methanol ChemIDplus
Manual Xrefs Databases
HMDB0005785 HMDB
Indole-3-carbinol Wikipedia
LSM-2011 LINCS
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Registry Numbers Types Sources
121323 Reaxys Registry Number Reaxys
1603301 Gmelin Registry Number Gmelin
700-06-1 CAS Registry Number ChemIDplus
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Last Modified
24 February 2016