Summary
IMPPAT Phytochemical identifier: IMPHY014873
Phytochemical name: 2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-, (1R,6S)-rel-
Synonymous chemical names:cis-piperitol, p-menth-1-en-3-ol,cis-, piperitol, cis
External chemical identifiers:CID:85567, ChEBI:167403, FDASRS:G7666796PG, SureChEMBL:SCHEMBL1301004
Chemical structure information
SMILES:
CC1=C[C@@H]([C@@H](CC1)C(C)C)OInChI:
InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9-11H,4-5H2,1-3H3/t9-,10-/m0/s1InChIKey:
HPOHAUWWDDPHRS-UWVGGRQHSA-NDeepSMILES:
CC=C[C@@H][C@@H]CC6))CC)C)))OFunctional groups:
CC(C)=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 lipids
ClassyFire Subclass: Monoterpenoids
NP Classifier Biosynthetic pathway: Terpenoids
NP Classifier Superclass: Monoterpenoids
NP Classifier Class: Menthane monoterpenoids
NP-Likeness score: 2.817
Chemical structure download