Summary

IMPPAT Phytochemical identifier: IMPHY011061

Phytochemical name: 5-Hydroxy-p-menth-6-en-2-one

Synonymous chemical names:
5-hydroxy-p-menth-6-en-2-one

External chemical identifiers:
CID:14106048, SureChEMBL:SCHEMBL6359603, MolPort-047-483-966

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Chemical structure information

SMILES:
CC(C1CC(=O)C(=CC1O)C)C

InChI:
InChI=1S/C10H16O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4,6,8,10,12H,5H2,1-3H3

InChIKey:
ZFUJCNJIGDBFEP-UHFFFAOYSA-N

DeepSMILES:
CCCCC=O)C=CC6O)))C)))))C

Functional groups:
CC=C(C)C(C)=O, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CCCC1

Scaffold Graph/Node level:
OC1CCCCC1

Scaffold Graph level:
CC1CCCCC1

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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: 2.515

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Chemical structure download