Details of the Drug | DrugMAP

General Information of Drug (ID: DMVQKB3)

Drug Name	NCI-C50000
Synonyms	Levomenthol; D-(-)-Menthol; Headache crystals; Hexahydrothymol; I-menthol; Levomentholum; Menthacamphor; Menthol (VAN); Menthol natural; Menthol racemic; Menthomenthol; Peppermint camphor; Racementhol; U.S.P. Menthol; d,l-Menthol; l-(-)-Menthol; l-Menthol; l-Menthol (natural); p-Menthan-3-ol; (+-)-Menthol; (-)-(1R,3R,4S)-Menthol; (-)-Menthyl alcohol; (-)-menthol; (-)-trans-p-Menthan-cis-ol; (1R)-(-)-Menthol; (1R,2S,5R)-2-Isopropyl-5-methylcyclohexanol; (1r,2s,5r)-(-)-menthol; (R)-(-)-Menthol; 1-Menthol; 2216-51-5; 89-78-1
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			156.26
	Logarithm of the Partition Coefficient (xlogp)			3
	Rotatable Bond Count (rotbonds)			1
	Hydrogen Bond Donor Count (hbonddonor)			1
	Hydrogen Bond Acceptor Count (hbondacc)			1
Chemical Identifiers	Formula C10H20O IUPAC Name (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol Canonical SMILES CC1CCC(C(C1)O)C(C)C InChI NOOLISFMXDJSKH-KXUCPTDWSA-N InChIKey 1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m1/s1
Cross-matching ID	PubChem CID 16666 ChEBI ID CHEBI:15409 CAS Number 89-78-1 DrugBank ID DB00825 INTEDE ID DR0941

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 3A4 (CYP3A4)_{Main DME}	DE4LYSA	CP3A4_HUMAN	Substrate	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Integrated analysis on the physicochemical properties of dihydropyridine calcium channel blockers in grapefruit juice interactions. Curr Pharm Biotechnol. 2012 Jul;13(9):1705-17.