| Drug General Information |
| Drug ID |
D01FJE
|
| Former ID |
DNC011121
|
| Drug Name |
ISOSAKUTANETIN
|
| Drug Type |
Small molecular drug
|
| Indication |
Discovery agent
|
Investigative |
[1]
|
|---|
| Structure |
|
Download
2D MOL
3D MOL
|
| 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 |
|
| Target and Pathway |
| Target(s) |
Cytochrome P450 1B1 |
Target Info |
Inhibitor |
[1]
|
|---|
|
BioCyc Pathway
|
Superpathway of tryptophan utilization
|
|
Superpathway of melatonin degradation
|
|
Melatonin degradation I
|
|
KEGG Pathway
|
Steroid hormone biosynthesis
|
|
Tryptophan metabolism
|
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Metabolism of xenobiotics by cytochrome P450
|
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Ovarian steroidogenesis
|
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Chemical carcinogenesis
|
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MicroRNAs in cancer
|
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NetPath Pathway
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TSH Signaling Pathway
|
|
IL4 Signaling Pathway
|
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TGF_beta_Receptor Signaling Pathway
|
|
Reactome
|
Endogenous sterols
|
|
WikiPathways
|
Metapathway biotransformation
|
|
Estrogen metabolism
|
|
Benzo(a)pyrene metabolism
|
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Tamoxifen metabolism
|
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Tryptophan metabolism
|
|
Oxidation by Cytochrome P450
|
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Nuclear Receptors Meta-Pathway
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Estrogen Receptor Pathway
|
|
Sulindac Metabolic Pathway
|
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Arylhydrocarbon receptor (AhR) signaling pathway
|
|
miR-targeted genes in muscle cell - TarBase
|
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miR-targeted genes in lymphocytes - TarBase
|
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miR-targeted genes in epithelium - TarBase
|
|
miR-targeted genes in adipocytes - TarBase
|
|
Phase 1 - Functionalization of compounds
|
| References |
| REF 1 | Bioorg Med Chem. 2010 Sep 1;18(17):6310-5. Epub 2010 Jul 13.Selective inhibition of methoxyflavonoids on human CYP1B1 activity. |
|---|
