Summary

IMPPAT Phytochemical identifier: IMPHY007368

Phytochemical name: Isomintlactone

Synonymous chemical names:
(+)-isomintlactone, isomintlactone, mintlactone

External chemical identifiers:
CID:94349, SureChEMBL:SCHEMBL352964

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Chemical structure information

SMILES:
CC1CCC2=C(C(=O)OC2C1)C

InChI:
InChI=1S/C10H14O2/c1-6-3-4-8-7(2)10(11)12-9(8)5-6/h6,9H,3-5H2,1-2H3

InChIKey:
VUVQBYIJRDUVHT-UHFFFAOYSA-N

DeepSMILES:
CCCCC=CC=O)OC5C9))))C

Functional groups:
CC1=C(C)C(=O)OC1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=C2CCCCC2O1

Scaffold Graph/Node level:
OC1CC2CCCCC2O1

Scaffold Graph level:
CC1CC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzofurans

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Menthane monoterpenoids, Monocyclic monoterpenoids

NP-Likeness score: 2.084

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Chemical structure download