Summary

IMPPAT Phytochemical identifier: IMPHY015614

Phytochemical name: 2(3H)-Furanone, dihydro-3-methyl-, (R)-

Synonymous chemical names:
dihydro-3-methyl-2(3h)-furanone

External chemical identifiers:
CID:638758, ZINC:ZINC000000388119, FDASRS:L8118R8Y55, SureChEMBL:SCHEMBL862568

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Chemical structure information

SMILES:
O=C1OCC[C@H]1C

InChI:
InChI=1S/C5H8O2/c1-4-2-3-7-5(4)6/h4H,2-3H2,1H3/t4-/m1/s1

InChIKey:
QGLBZNZGBLRJGS-SCSAIBSYSA-N

DeepSMILES:
O=COCC[C@H]5C

Functional groups:
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: Monoterpenoids, Fatty esters

NP Classifier Class: Iridoids monoterpenoids, Lactones

NP-Likeness score: 1.468

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Chemical structure download