Summary

IMPPAT Phytochemical identifier: IMPHY017750

Phytochemical name: gamma-Valerolactone

Synonymous chemical names:
2(3h)-furanone, dihydro-5-methyl-, gamma'-valerolactone, γ-valerolactone (pentan-1,4-olide)

External chemical identifiers:
CID:7921, ChEMBL:CHEMBL195593, ChEBI:48569, FDASRS:O7056XK37X, SureChEMBL:SCHEMBL37255, MolPort-003-939-842

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Chemical structure information

SMILES:
CC1CCC(=O)O1

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

InChIKey:
GAEKPEKOJKCEMS-UHFFFAOYSA-N

DeepSMILES:
CCCCC=O)O5

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

NP Classifier Superclass: Fatty esters

NP Classifier Class: Lactones

NP-Likeness score: 2.778

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Chemical structure download