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
• #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: DCSCXTJOXBUFGB-JGVFFNPUSA-N
  InChIKey: 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
• Cross-matching ID:
  PubChem CID: 92874
  ChEBI ID: CHEBI:78316
  CAS Number: 1196-01-6
  DrugBank ID: DB13391
  INTEDE ID: DR0949

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]

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.