Summary

IMPPAT Phytochemical identifier: IMPHY006371

Phytochemical name: 3-Acetyl-4-hydroxy-6-phenyl-2h-pyran-2-one

Synonymous chemical names:
pogopyrone b, pogopyrones b

External chemical identifiers:
CID:54684275, ZINC:ZINC000005712976, SureChEMBL:SCHEMBL5632532

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Chemical structure information

SMILES:
CC(=O)c1c(O)cc(oc1=O)c1ccccc1

InChI:
InChI=1S/C13H10O4/c1-8(14)12-10(15)7-11(17-13(12)16)9-5-3-2-4-6-9/h2-7,15H,1H3

InChIKey:
FFHCNOWGZDJWHG-UHFFFAOYSA-N

DeepSMILES:
CC=O)ccO)ccoc6=O)))cccccc6

Functional groups:
c=O, cC(C)=O, cO, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cccc(-c2ccccc2)o1

Scaffold Graph/Node level:
OC1CCCC(C2CCCCC2)O1

Scaffold Graph level:
CC1CCCC(C2CCCCC2)C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Cyclic polyketides

NP Classifier Class: 2-pyrone derivatives

NP-Likeness score: 0.474

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Chemical structure download