Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID011875

Phytochemical name: l-Piperitone

Synonymous chemical names:
l-piperitone

External chemical identifiers:
CID:CID_107561, ChEMBL:CHEMBL2229207, ChEBI:CHEBI:48934, ZINC:ZINC000014589006, FDASRS:8GZY0Q0N20, SureChEMBL:SCHEMBL3508682

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Chemical structure information

SMILES:
CC1=CC(=O)[C@H](CC1)C(C)C

InChI:
InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9H,4-5H2,1-3H3/t9-/m1/s1

InChIKey:
YSTPAHQEHQSRJD-SECBINFHSA-N

DeepSMILES:
CC=CC=O)[C@H]CC6))CC)C

Functional groups:
CC(=CC(=O)C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CCCC1

Scaffold Graph/Node level:
OC1CCCCC1

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: 2.34

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Chemical structure download