| Drug General Information |
| Drug ID |
D0D5YP
|
| Former ID |
DNC007685
|
| Drug Name |
BERGAPTOL
|
| Drug Type |
Small molecular drug
|
| Indication |
Discovery agent
|
Investigative |
[1]
|
|---|
| Structure |
|
Download
2D MOL
3D MOL
|
| Formula |
C11H6O4
|
| Canonical SMILES |
C1=CC(=O)OC2=CC3=C(C=CO3)C(=C21)O
|
| InChI |
1S/C11H6O4/c12-10-2-1-6-9(15-10)5-8-7(11(6)13)3-4-14-8/h1-5,13H
|
| InChIKey |
GIJHDGJRTUSBJR-UHFFFAOYSA-N
|
| PubChem Compound ID |
|
| Target and Pathway |
| Target(s) |
Cytochrome P450 3A4 |
Target Info |
Inhibitor |
[1]
|
|---|
|
KEGG Pathway
|
Steroid hormone biosynthesis
|
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Linoleic acid metabolism
|
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Retinol metabolism
|
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Metabolism of xenobiotics by cytochrome P450
|
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Drug metabolism - cytochrome P450
|
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Drug metabolism - other enzymes
|
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Metabolic pathways
|
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Bile secretion
|
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Chemical carcinogenesis
|
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PathWhiz Pathway
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Caffeine Metabolism
|
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Retinol Metabolism
|
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Reactome
|
Xenobiotics
|
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Aflatoxin activation and detoxification
|
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WikiPathways
|
Metapathway biotransformation
|
|
Aflatoxin B1 metabolism
|
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Estrogen metabolism
|
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Benzo(a)pyrene metabolism
|
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Tamoxifen metabolism
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Tryptophan metabolism
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Oxidation by Cytochrome P450
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Nuclear Receptors in Lipid Metabolism and Toxicity
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Nuclear Receptors Meta-Pathway
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Farnesoid X Receptor Pathway
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Vitamin D Receptor Pathway
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Felbamate Metabolism
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Lidocaine metabolism
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Nifedipine Activity
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Colchicine Metabolic Pathway
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Irinotecan Pathway
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Drug Induction of Bile Acid Pathway
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Fatty Acid Omega Oxidation
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Codeine and Morphine Metabolism
|
| References |
| REF 1 | Bioorg Med Chem. 2007 Jun 1;15(11):3684-91. Epub 2007 Mar 18.Radical scavenging and cytochrome P450 3A4 inhibitory activity of bergaptol and geranylcoumarin from grapefruit. |
|---|
