NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundIndole-3-carbinol
NPACT-IdNPACT01234
IUPAC-
Synonyms3-Indolemethanol;3-Hydroxymethylindole;3-Indolylcarbinol;1H-indol-3-ylmethanol;Indinol;1H-Indole-3-methanol;3-(Hydroxymethyl)indole;1H-Indol-3-Yl-Methanol;
PubChem Id3712
ClassPolycyclic aromatic natural products
In-vitro anticancer activtiy 2 cancer cell lines
In-Vivo anticancer activtiy No
TargetsBAX | BCL2 | CDK6 | CDKN1A | CDKN1B | NFKB1 | PARP1 | RB1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyIVYPNXXAYMYVSP-UHFFFAOYSA-N
InChi1S/C9H9NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-5,10-11H,6H2
SMILESOCc1c2c([nH]c1)cccc2
SMART[H]OC([H])([H])C1=C([H])N([H])C2=C([H])C([H])=C([H])C([H])=C12
CAS No.700-06-1
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C016517
HIT   -
NCI-60 GI50 data   -
Suppliers ABBLIS Chemicals, ABI Chem, AKos Consulting & Solutions, Amadis Chemical, Ambinter, Angene International, Biosynth, Calbiochem, ChemExper Chemical Directory, ChemFrog, Chemical Synthesis Database, ChemMol, Enamine, Hangzhou APIChem Technology, Hangzhou Trylead Chemical Technology, HDH Pharma, IS Chemical Technology, MolPort, MP Biomedicals, Selleck Chemicals, Sigma-Aldrich, TCI (Tokyo Chemical Industry), Tractus, ZINC, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   No
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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