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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL155625
CHEMBL155625
Compound Name INDOLE-3-CARBINOL
ChEMBL Synonyms Indole-3-Carbinol
Max Phase 0
Trade Names
Molecular Formula C9H9NO

Additional synonyms for CHEMBL155625 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OCc1c[nH]c2ccccc12
Standard InChI InChI=1S/C9H9NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-5,10-11H,6H2
Standard InChI Key IVYPNXXAYMYVSP-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL155625

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
147.2 147.0684 1.52 1 36.01 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 2 0 2 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 1.37 1.37 2 11 0.63

Structural Alerts

There are no structural alerts for CHEMBL155625

Compound Cross References

ChemSpider ChemSpider:IVYPNXXAYMYVSP-UHFFFAOYSA-N
PubChem SID: 124889851 SID: 144214016 SID: 17388972 SID: 26747235 SID: 57260065
Wikipedia Indole-3-carbinol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL155625



ACToR 700-06-1
ChEBI 24814
eMolecules 539712
EPA CompTox Dashboard DTXSID7031458
FDA SRS C11E72455F
Human Metabolome Database HMDB05785
IBM Patent System 085B3827EB5D498FAA133DEE06A46BA8
LINCS LSM-2011
Mcule MCULE-6344603304
MolPort MolPort-000-139-921
Nikkaji J193.059A
NMRShiftDB 20221552
PubChem 3712
PubChem: Thomson Pharma 15170857
Selleck Indole-3-carbinol
SureChEMBL SCHEMBL195520
ZINC ZINC00158743

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/IVYPNXXAYMYVSP-UHFFFAOYSA-N spacer
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