Summary

IMPPAT Phytochemical identifier: IMPHY004528

Phytochemical name: 1,3-p-Menthadien-7-al

Synonymous chemical names:
1,3 - p - menthadien -7-al, 1,3-menthadien-7-al, 1,3-p-menthadien-7-al, alpha-terpinen-7-al, p-mentha-1,3 dien-7-al, p-mentha-1,3-dien-7-al, α-terpinen-7-al

External chemical identifiers:
CID:526762, FDASRS:UT41AAJ8BE, SureChEMBL:SCHEMBL229737

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Chemical structure information

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

InChI:
InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,5,7-8H,4,6H2,1-2H3

InChIKey:
MKVBITWQDIIUMF-UHFFFAOYSA-N

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

Functional groups:
CC1=CC=C(C=O)CC1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCC=C1

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: 2.482

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Chemical structure download