Summary

IMPPAT Phytochemical identifier: IMPHY011072

Phytochemical name: 3-Oxo-p-menth-1-en-7-al

Synonymous chemical names:
3-oxo-p-menth-1-en-7-al, p-3-oxo-menth-1-en-7-ol

External chemical identifiers:
CID:45096307

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Chemical structure information

SMILES:
O=CC1=CC(=O)C(CC1)C(C)C

InChI:
InChI=1S/C10H14O2/c1-7(2)9-4-3-8(6-11)5-10(9)12/h5-7,9H,3-4H2,1-2H3

InChIKey:
BUAQHWMVENOIOI-UHFFFAOYSA-N

DeepSMILES:
O=CC=CC=O)CCC6))CC)C

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

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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, Monocyclic monoterpenoids

NP-Likeness score: 2.12

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Chemical structure download