Summary

IMPPAT Phytochemical identifier: IMPHY013559

Phytochemical name: p-Menth-3-en-9-al

Synonymous chemical names:
p-menth-3-en-9-al

External chemical identifiers:
CID:88425666, ChEBI:171926, SureChEMBL:SCHEMBL9188325

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Chemical structure information

SMILES:
O=CC(C1=CCC(CC1)C)C

InChI:
InChI=1S/C10H16O/c1-8-3-5-10(6-4-8)9(2)7-11/h5,7-9H,3-4,6H2,1-2H3

InChIKey:
SPXGCTAVKRKSKR-UHFFFAOYSA-N

DeepSMILES:
O=CCC=CCCCC6))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: Menthane monoterpenoids

NP-Likeness score: 1.942

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Chemical structure download