Summary

IMPPAT Phytochemical identifier: IMPHY014238

Phytochemical name: Methyl piperitol

Synonymous chemical names:
methyl piperitol

External chemical identifiers:
CID:12284330, ChEMBL:CHEMBL448226, SureChEMBL:SCHEMBL3032662

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Chemical structure information

SMILES:
COC1C=C(C)CCC1C(C)C

InChI:
InChI=1S/C11H20O/c1-8(2)10-6-5-9(3)7-11(10)12-4/h7-8,10-11H,5-6H2,1-4H3

InChIKey:
BBVRHQWSUQMSQI-UHFFFAOYSA-N

DeepSMILES:
COCC=CC)CCC6CC)C

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

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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: Shikimates and Phenylpropanoids

NP Classifier Superclass: Lignans

NP Classifier Class: Furofuranoid lignans

NP-Likeness score: 2.662

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Chemical structure download