Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000633

Phytochemical name: 2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-, (1R,6S)-rel-

Synonymous chemical names:
p-menth-1-en-3-ol,cis-, piperitol, cis, 2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-, (1R,6S)-rel-, cis-piperitol

External chemical identifiers:
CID:CID_85567, ChEBI:CHEBI:167403, FDASRS:G7666796PG, SureChEMBL:SCHEMBL1301004

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Chemical structure information

SMILES:
CC1=C[C@@H]([C@@H](CC1)C(C)C)O

InChI:
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/s1

InChIKey:
HPOHAUWWDDPHRS-UWVGGRQHSA-N

DeepSMILES:
CC=C[C@@H][C@@H]CC6))CC)C)))O

Functional groups:
CC(=CC)C, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCCC1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire 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

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Chemical structure download