Summary

IMPPAT Phytochemical identifier: IMPHY015790

Phytochemical name: 2(3H)-Furanone, 5-ethenyldihydro-5-methyl-

Synonymous chemical names:
lavander lactone, lavender lactone

External chemical identifiers:
CID:102550, FDASRS:S2GF56OA97, SureChEMBL:SCHEMBL919332

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Chemical structure information

SMILES:
CC1(CCC(=O)O1)C=C

InChI:
InChI=1S/C7H10O2/c1-3-7(2)5-4-6(8)9-7/h3H,1,4-5H2,2H3

InChIKey:
QESPSAHXYXIGBG-UHFFFAOYSA-N

DeepSMILES:
CCCCC=O)O5))))C=C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCO1

Scaffold Graph/Node level:
OC1CCCO1

Scaffold Graph level:
CC1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Lactones

ClassyFire Subclass: Gamma butyrolactones

NP Classifier Biosynthetic pathway: Fatty acids, Terpenoids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Lactones

NP-Likeness score: 3.019

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Chemical structure download