FXK

1~{H}-indol-3-ylmethanol

Created: 2018-08-13
Last modified:  2021-05-19

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Chemical Details

Formal Charge0
Atom Count20
Chiral Atom Count0
Bond Count21
Aromatic Bond Count10
2D diagram of FXK
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Chemical Component Summary

Name1~{H}-indol-3-ylmethanol
Systematic Name (OpenEye OEToolkits)1~{H}-indol-3-ylmethanol
FormulaC9 H9 N O
Molecular Weight147.174
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385OCc1c[nH]c2ccccc12
SMILESOpenEye OEToolkits2.0.6c1ccc2c(c1)c(c[nH]2)CO
Canonical SMILESCACTVS3.385 OCc1c[nH]c2ccccc12
Canonical SMILESOpenEye OEToolkits2.0.6 c1ccc2c(c1)c(c[nH]2)CO
InChIInChI1.03 InChI=1S/C9H9NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-5,10-11H,6H2
InChIKeyInChI1.03 IVYPNXXAYMYVSP-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB12881 
NameIndole-3-carbinol
Groups investigational
DescriptionIndole 3 Carbinol is under investigation in clinical trial NCT00033345 (Indole-3-Carbinol in Preventing Breast Cancer in Nonsmoking Women Who Are at High Risk For Breast Cancer).
SynonymsIndole-3-carbinol
Categories
  • Anticarcinogenic Agents
  • Antineoplastic Agents
  • Compounds used in a research, industrial, or household setting
  • Heterocyclic Compounds, Fused-Ring
  • Protective Agents
CAS number700-06-1

Drug Targets

NameTarget SequencePharmacological ActionActions
NF-kappa-B inhibitor alphaMFQAAERPQEWAMEGPRDGLKKERLLDDRHDSGLDSMKDEEYEQMVKELQ...unknowninhibitor
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 3712
ChEMBL CHEMBL155625
ChEBI CHEBI:24814
CCDC/CSD QULGUB01