Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR0949)
Drug Name
Levoverbenone
Synonyms
Levoverbenone; DCSCXTJOXBUFGB-JGVFFNPUSA-N; L(-)-Verbenone; Pin-2-en-4-one; VERBENONE; VERBENONE,(L); Verbenone, (L)-; l-Verbenone; l-verbenoe; (-)-2-Pinen-4-one; (-)-Verbenone; (-)-cis-verbenone; (1S)-(-)-Verbenone; (1S)-(-)-Verbenone, 94%; (1S,5S)-4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-one; (S)-(-)-Verbenone; 1196-01-6; 2XP0J7754U; 80-57-9; AI3-23128; Bicyclo(3.1.1)hept-3-en-2-one, 4,6,6-trimethyl-, (1S,5S)-; Bicyclo[3.1.1]hept-3-en-2-one, 4,6,6-trimethyl-, (1S,5S)-; CHEBI:78316; EINECS 214-807-2; NSC 6831; UNII-2XP0J7754U
Indication Pulmonary tuberculosis [ICD11: 1B10] Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 150.22 Topological Polar Surface Area 17.1
Heavy Atom Count 11 Rotatable Bond Count 0
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 1
Cross-matching ID
PubChem CID
92874
ChEBI ID
CHEBI:78316
CAS Number
1196-01-6
Formula
C10H14O
Canonical SMILES
CC1=CC(=O)C2CC1C2(C)C
InChI
1S/C10H14O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-8H,5H2,1-3H3/t7-,8+/m0/s1
InChIKey
DCSCXTJOXBUFGB-JGVFFNPUSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
(-)-10-OH Verbenone DM004960 N. A. Oxidation - Hydrolyzationn 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR005376 Levoverbenone (-)-10-OH Verbenone Oxidation - Hydrolyzationn CYP2A6 ... [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2A6 (CYP2A6) DME0005 Homo sapiens
CP2A6_HUMAN
1.14.14.1
[2]
Cytochrome P450 2B6 (CYP2B6) DME0020 Homo sapiens
CP2B6_HUMAN
1.14.14.1
[2]
References
1 G-SRS database: LEVOVERBENONE
2 Roles of human CYP2A6 and 2B6 and rat CYP2C11 and 2B1 in the 10-hydroxylation of (-)-verbenone by liver microsomes. Drug Metab Dispos. 2003 Aug;31(8):1049-53.

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