Summary

IMPPAT Phytochemical identifier: IMPHY013756

Phytochemical name: 4H-Pyran-4-one

Synonymous chemical names:
gamma-pyrone

External chemical identifiers:
CID:7968, ChEBI:37966, ZINC:ZINC000002041085, FDASRS:UJ7X07IM7Z, SureChEMBL:SCHEMBL100207, MolPort-003-927-206

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Chemical structure information

SMILES:
O=c1ccocc1

InChI:
InChI=1S/C5H4O2/c6-5-1-3-7-4-2-5/h1-4H

InChIKey:
CVQUWLDCFXOXEN-UHFFFAOYSA-N

DeepSMILES:
O=cccocc6

Functional groups:
c=O, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1ccocc1

Scaffold Graph/Node level:
OC1CCOCC1

Scaffold Graph level:
CC1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyrans

ClassyFire Subclass: Pyranones and derivatives

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Cyclic polyketides

NP Classifier Class: 4-pyrone derivatives

NP-Likeness score: 0.441

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Chemical structure download