Summary

IMPPAT Phytochemical identifier: IMPHY012287

Phytochemical name: Pulegol

Synonymous chemical names:
pulegol

External chemical identifiers:
CID:92793, SureChEMBL:SCHEMBL2684088

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Chemical structure information

SMILES:
CC1CCC(=C(C)C)C(C1)O

InChI:
InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h8,10-11H,4-6H2,1-3H3

InChIKey:
JGVWYJDASSSGEK-UHFFFAOYSA-N

DeepSMILES:
CCCCC=CC)C))CC6)O

Functional groups:
CC(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

NP-Likeness score: 1.689

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Chemical structure download