Summary

IMPPAT Phytochemical identifier: IMPHY004679

Phytochemical name: P-Menth-1-en-9-al

Synonymous chemical names:
1-p-menthen-9-al, 1-p-menthene-9-al, p -menth-1-en-9-al, p-menth-1-en-9-al

External chemical identifiers:
CID:520440, ChEBI:87568, FDASRS:25OS1Y59MM, SureChEMBL:SCHEMBL998020

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Chemical structure information

SMILES:
O=CC(C1CCC(=CC1)C)C

InChI:
InChI=1S/C10H16O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,7,9-10H,4-6H2,1-2H3

InChIKey:
UMEJBWOWZDRULR-UHFFFAOYSA-N

DeepSMILES:
O=CCCCCC=CC6))C)))))C

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

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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: Monocyclic monoterpenoids

NP-Likeness score: 2.404

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Chemical structure download