Summary

IMPPAT Phytochemical identifier: IMPHY002072

Phytochemical name: Pinocarvone

Synonymous chemical names:
3-methyl-pinocarvone, alpha-pinocarvone, l-pinocarvone, pinocarvone, pinocarvone*, pinocawone, α-pinocarvone

External chemical identifiers:
CID:121719, ChEBI:28996, SureChEMBL:SCHEMBL217966

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Chemical structure information

SMILES:
C=C1C(=O)CC2CC1C2(C)C

InChI:
InChI=1S/C10H14O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h7-8H,1,4-5H2,2-3H3

InChIKey:
TZDMGBLPGZXHJI-UHFFFAOYSA-N

DeepSMILES:
C=CC=O)CCCC6C4C)C

Functional groups:
C=C(C)C(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C(=O)CC2CC1C2

Scaffold Graph/Node level:
CC1C(O)CC2CC1C2

Scaffold Graph level:
CC1CC2CC(C2)C1C

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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, Pinane monoterpenoids

NP-Likeness score: 2.752

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Chemical structure download