Summary
IMPPAT Phytochemical identifier: IMPHY015095
Phytochemical name: 2-Cyclohexen-1-ol, 1-methyl-4-(1-methylethyl)-, trans-
Synonymous chemical names:menth-2-en-1-ol
, p-trans-menth-2-en-1-ol, trans,p-menth-2-en-1-ol, trans-menth-2-en- 1-01, trans-menth-2-en-1-0l, trans-p-ment-2-en-1-ol, trans-p-menth-2 en-1-ol, trans-p-menth-2-en- 1-01, trans-p-menth-2-en- 1-0l, trans-p-menth-2-en-1 -ol, trans-p-menth-2-en-1-01, trans-p-menth-2-en-1-ol, trans-p-menth-2-en-1-ol 1, trans-p-menth-2en-1-ol, trans-ρ-menth-2-en, 1-ol, trum-p-menth-2-en-1-ol, tvanz-p-menth-2-en-1-olExternal chemical identifiers:
CID:122484, ZINC:ZINC000006036018, SureChEMBL:SCHEMBL4978490
Chemical structure information
SMILES:
CC([C@@H]1CC[C@@](C=C1)(C)O)CInChI:
InChI=1S/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h4,6,8-9,11H,5,7H2,1-3H3/t9-,10-/m0/s1InChIKey:
IZXYHAXVIZHGJV-UWVGGRQHSA-NDeepSMILES:
CC[C@@H]CC[C@@]C=C6))C)O)))))CFunctional groups:
CC=CC, CO
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C1=CCCCC1Scaffold Graph/Node level:
C1CCCCC1Scaffold Graph level:
C1CCCCC1
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Lipids and lipid-like moleculesClassyFire Class: Prenol lipidsClassyFire Subclass: MonoterpenoidsNP Classifier Biosynthetic pathway: TerpenoidsNP Classifier Superclass: MonoterpenoidsNP Classifier Class: Menthane monoterpenoidsNP-Likeness score: 3.545
Chemical structure download