Molecular Identity
Indole-3-Carbinol
1H-indol-3-ylmethanol
PubChem CID: 3712
Indole-3-methanol is an indolyl alcohol carrying a hydroxymethyl group at position 3. It is a constituent of the cruciferous vegetables and had anticancer activity. It has a role as an antineoplastic agent and a plant metabolite.
2D Structure
Properties
C9H9NO
Molecular Formula
147.17
Molecular Weight
g/mol
147.0684
Exact Mass
Da
1.1
XLogP
Drug-like (Lipinski: < 5)
36
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
1
H-Bond Acceptors
138
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC=C2C(=C1)C(=CN2)COIsomeric SMILES
SMILES: C1=CC=C2C(=C1)C(=CN2)COSynonyms(20)
Indole-3-carbinol700-06-1INDOLE-3-METHANOL3-Hydroxymethylindole1H-Indole-3-methanol1H-indol-3-ylmethanol3-IndolylcarbinolDTXSID7031458Indole 3-carbinolNSC-525801C11E72455FDTXCID5011458CHEBI:24814I3C cpdRefChem:148195
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Indole-3-Carbinol
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