Summary

IMPPAT Phytochemical identifier: IMPHY012256

Phytochemical name: p-Menth-1-en-3-ol

Synonymous chemical names:
piperitol

External chemical identifiers:
CID:10282, SureChEMBL:SCHEMBL1245098

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Chemical structure information

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

InChI:
InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9-11H,4-5H2,1-3H3

InChIKey:
HPOHAUWWDDPHRS-UHFFFAOYSA-N

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

Functional groups:
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: Menthane monoterpenoids

NP-Likeness score: 2.817

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Chemical structure download