Summary

IMPPAT Phytochemical identifier: IMPHY017492

Phytochemical name: p-Menth-1(7)-en-9-ol

Synonymous chemical names:
p-menth-1(7)-en-9-ol

External chemical identifiers:
CID:564610, SureChEMBL:SCHEMBL17785063

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Chemical structure information

SMILES:
OCC(C1CCC(=C)CC1)C

InChI:
InChI=1S/C10H18O/c1-8-3-5-10(6-4-8)9(2)7-11/h9-11H,1,3-7H2,2H3

InChIKey:
HXSUWRNHJVTUAL-UHFFFAOYSA-N

DeepSMILES:
OCCCCCC=C)CC6))))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCCC1

Scaffold Graph/Node level:
CC1CCCCC1

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: 1.996

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Chemical structure download