Summary

IMPPAT Phytochemical identifier: IMPHY004531

Phytochemical name: p-Mentha-1,8-dien-4-ol

Synonymous chemical names:
1,8(9)-p-menthadien-4-ol, 1,8-menthadien-4-ol, 1,8-p-menthadien-4-ol, p-mentha-1,8-dien-4-ol, p-mentha-1,8-dien-4-ol (= limonen-4-ol), p-mentha-1,8-dien-4-ol (=limonen-4-ol), p-mentha-1,8-dien-4-ol (=limonene-4-ol), p-menthα-1,8-dien-4-ol, p-menthα-1,8-dien-4-ol (= limonen-4-ol)

External chemical identifiers:
CID:527428, ChEBI:171936, SureChEMBL:SCHEMBL524697

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Chemical structure information

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

InChI:
InChI=1S/C10H16O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,11H,1,5-7H2,2-3H3

InChIKey:
OVKDFILSBMEKLT-UHFFFAOYSA-N

DeepSMILES:
CC=CCCCC6))O)C=C)C

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

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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: 3.114

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Chemical structure download