Summary

IMPPAT Phytochemical identifier: IMPHY016457

Phytochemical name: 5-Methyl-2(5H)-furanone

Synonymous chemical names:
5-methyl-2(5h)-furanone (β-angelica lactone), 5-methyl-2-(5h)-furanone

External chemical identifiers:
CID:11558, ChEMBL:CHEMBL47969, ChEBI:36436, FDASRS:1AX0NCS144, SureChEMBL:SCHEMBL873519, MolPort-006-111-971

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Chemical structure information

SMILES:
CC1C=CC(=O)O1

InChI:
InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h2-4H,1H3

InChIKey:
BGLUXFNVVSVEET-UHFFFAOYSA-N

DeepSMILES:
CCC=CC=O)O5

Functional groups:
O=C1C=CCO1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CCO1

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: Dihydrofurans

ClassyFire Subclass: Furanones

NP Classifier Biosynthetic pathway: Polyketides

NP-Likeness score: 3.133

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Chemical structure download