Details of the Drug

General Information of Drug (ID: DMV3P89)

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
ATC Code
R05CA11: Levoverbenone
R05CA: Expectorants
R05C: EXPECTORANTS, EXCL. COMBINATIONS WITH COUGH SUPPRESSANTS
R05: COUGH AND COLD PREPARATIONS
R: RESPIRATORY SYSTEM
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 150.22
Logarithm of the Partition Coefficient (xlogp) 1.6
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C10H14O
IUPAC Name
(1S,5S)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one
Canonical SMILES
CC1=CC(=O)C2CC1C2(C)C
InChI
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
Cross-matching ID
PubChem CID
92874
ChEBI ID
CHEMBL78316
CAS Number
1196-01-6
UNII
IFV46DXC6U
DrugBank ID
DB15977
INTEDE ID
DR0949
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 2A6 (CYP2A6) DEJVYAZ CP2A6_HUMAN Substrate [1]
Cytochrome P450 2B6 (CYP2B6) DEPKLMQ CP2B6_HUMAN Substrate [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 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.