Drug General Information
Drug ID	D0D5YP
Former ID	DNC007685
Drug Name	BERGAPTOL
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[528768]
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	5280371
Target and Pathway
Target(s)	Cytochrome P450 3A4	Target Info	Inhibitor	[528768]
KEGG Pathway	Steroid hormone biosynthesis
	Linoleic acid metabolism
	Retinol metabolism
	Metabolism of xenobiotics by cytochrome P450
	Drug metabolism - cytochrome P450
	Drug metabolism - other enzymes
	Metabolic pathways
	Bile secretion
	Chemical carcinogenesis
PathWhiz Pathway	Caffeine Metabolism
	Retinol Metabolism
Reactome	Xenobiotics
	Aflatoxin activation and detoxification
WikiPathways	Metapathway biotransformation
	Aflatoxin B1 metabolism
	Estrogen metabolism
	Benzo(a)pyrene metabolism
	Tamoxifen metabolism
	Tryptophan metabolism
	Oxidation by Cytochrome P450
	Nuclear Receptors in Lipid Metabolism and Toxicity
	Nuclear Receptors Meta-Pathway
	Farnesoid X Receptor Pathway
	Vitamin D Receptor Pathway
	Felbamate Metabolism
	Lidocaine metabolism
	Nifedipine Activity
	Colchicine Metabolic Pathway
	Irinotecan Pathway
	Drug Induction of Bile Acid Pathway
	Fatty Acid Omega Oxidation
	Codeine and Morphine Metabolism
References
Ref 528768	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.
Ref 528768	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.

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