Summary

IMPPAT Phytochemical identifier: IMPHY000315

Phytochemical name: 4-Phenyl-5-methoxyfuran-2(5H)-one

Synonymous chemical names:
2-butenoic-acid-lactone

External chemical identifiers:
CID:10954333

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Chemical structure information

SMILES:
COC1OC(=O)C=C1c1ccccc1

InChI:
InChI=1S/C11H10O3/c1-13-11-9(7-10(12)14-11)8-5-3-2-4-6-8/h2-7,11H,1H3

InChIKey:
NIRNITKZYDOQDK-UHFFFAOYSA-N

DeepSMILES:
COCOC=O)C=C5cccccc6

Functional groups:
cC1=CC(=O)OC1OC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=C(c2ccccc2)CO1

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)CO1

Scaffold Graph level:
CC1CCC(C2CCCCC2)C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Dihydrofurans

ClassyFire Subclass: Furanones

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Diazotetronic acids and derivatives

NP Classifier Class: Pulvinones

NP-Likeness score: 1.701

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Chemical structure download