Drug Information

Drug General Information
Drug ID
D01FJE
Former ID
DNC011121
Drug Name
ISOSAKUTANETIN
Drug Type
Small molecular drug
Indication Discovery agent Investigative [531094]
Formula
C16H14O5
Canonical SMILES
COC1=CC=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O
InChI
1S/C16H14O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-7,14,17-18H,8H2,1H3/t14-/m0/s1
InChIKey
HMUJXQRRKBLVOO-AWEZNQCLSA-N
PubChem Compound ID
160481
Target and Pathway
Target(s) Cytochrome P450 1B1 Target Info Inhibitor [531094]
BioCyc Pathway Superpathway of tryptophan utilization
Superpathway of melatonin degradation
Melatonin degradation I
KEGG Pathway Steroid hormone biosynthesis
Tryptophan metabolism
Metabolism of xenobiotics by cytochrome P450
Ovarian steroidogenesis
Chemical carcinogenesis
MicroRNAs in cancer
NetPath Pathway TSH Signaling Pathway
IL4 Signaling Pathway
TGF_beta_Receptor Signaling Pathway
Reactome Endogenous sterols
WikiPathways Metapathway biotransformation
Estrogen metabolism
Benzo(a)pyrene metabolism
Tamoxifen metabolism
Tryptophan metabolism
Oxidation by Cytochrome P450
Nuclear Receptors Meta-Pathway
Estrogen Receptor Pathway
Sulindac Metabolic Pathway
Arylhydrocarbon receptor (AhR) signaling pathway
miR-targeted genes in muscle cell - TarBase
miR-targeted genes in lymphocytes - TarBase
miR-targeted genes in epithelium - TarBase
miR-targeted genes in adipocytes - TarBase
Phase 1 - Functionalization of compounds
References
Ref 531094Bioorg Med Chem. 2010 Sep 1;18(17):6310-5. Epub 2010 Jul 13.Selective inhibition of methoxyflavonoids on human CYP1B1 activity.
Ref 531094Bioorg Med Chem. 2010 Sep 1;18(17):6310-5. Epub 2010 Jul 13.Selective inhibition of methoxyflavonoids on human CYP1B1 activity.