Summary

IMPPAT Phytochemical identifier: IMPHY015004

Phytochemical name: Menthone

Synonymous chemical names:
(-)-menthone, *menthone, 1-menthone, l-menthone, menthone, trans-menthone

External chemical identifiers:
CID:26447, ChEMBL:CHEMBL276311, ChEBI:15410, ZINC:ZINC000000967796, FDASRS:5F709W4OG4, SureChEMBL:SCHEMBL21709, MolPort-001-793-642

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Chemical structure information

SMILES:
C[C@@H]1CC[C@H](C(=O)C1)C(C)C

InChI:
InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s1

InChIKey:
NFLGAXVYCFJBMK-BDAKNGLRSA-N

DeepSMILES:
C[C@@H]CC[C@H]C=O)C6))CC)C

Functional groups:
CC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCCC1

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: 1.581

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Chemical structure download