Drug Information

Drug General Information
Drug ID
D00TOF
Former ID
DNC009497
Drug Name
DIHYDROCUBEBIN
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527404]
Structure
Download
2D MOL

3D MOL
Formula
C20H22O6
Canonical SMILES
C1OC2=C(O1)C=C(C=C2)CC(CO)C(CC3=CC4=C(C=C3)OCO4)CO
InChI
1S/C20H22O6/c21-9-15(5-13-1-3-17-19(7-13)25-11-23-17)16(10-22)6-14-2-4-18-20(8-14)26-12-24-18/h1-4,7-8,15-16,21-22H,5-6,9-12H2/t15-,16-/m0/s1
InChIKey
JKCVMTYNARDGET-HOTGVXAUSA-N
PubChem Compound ID
193042
Target and Pathway
Target(s) Cytochrome P450 2D6 Target Info Inhibitor [527404]
Cytochrome P450 3A4 Target Info Inhibitor [527404]
KEGG Pathway Metabolism of xenobiotics by cytochrome P450
Drug metabolism - cytochrome P450
Serotonergic synapsehsa00140:Steroid hormone biosynthesis
Linoleic acid metabolism
Retinol metabolism
Drug metabolism - other enzymes
Metabolic pathways
Bile secretion
Chemical carcinogenesis
PathWhiz Pathway Caffeine Metabolism
Retinol Metabolism
Reactome XenobioticsR-HSA-211981:Xenobiotics
Aflatoxin activation and detoxification
WikiPathways Metapathway biotransformation
Tamoxifen metabolism
Oxidation by Cytochrome P450
Vitamin D Receptor Pathway
Aripiprazole Metabolic Pathway
Fatty Acid Omega Oxidation
Codeine and Morphine MetabolismWP702:Metapathway biotransformation
Aflatoxin B1 metabolism
Estrogen metabolism
Benzo(a)pyrene metabolism
Tryptophan metabolism
Nuclear Receptors in Lipid Metabolism and Toxicity
Nuclear Receptors Meta-Pathway
Farnesoid X Receptor Pathway
Felbamate Metabolism
Lidocaine metabolism
Nifedipine Activity
Colchicine Metabolic Pathway
Irinotecan Pathway
Drug Induction of Bile Acid Pathway
Codeine and Morphine Metabolism
References
Ref 527404J Nat Prod. 2005 Jan;68(1):64-8.Potent CYP3A4 inhibitory constituents of Piper cubeba.
Ref 527404J Nat Prod. 2005 Jan;68(1):64-8.Potent CYP3A4 inhibitory constituents of Piper cubeba.

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