Summary

IMPPAT Phytochemical identifier: IMPHY003075

Phytochemical name: 4H-1-Benzopyran-4-one, 2-(3-furanyl)-

Synonymous chemical names:
4h-1-benzopyran-4-one

External chemical identifiers:
CID:3913820, ZINC:ZINC000001506285, SureChEMBL:SCHEMBL13855896

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Chemical structure information

SMILES:
O=c1cc(oc2c1cccc2)c1cocc1

InChI:
InChI=1S/C13H8O3/c14-11-7-13(9-5-6-15-8-9)16-12-4-2-1-3-10(11)12/h1-8H

InChIKey:
LGUHQIOUFDSZTE-UHFFFAOYSA-N

DeepSMILES:
O=cccocc6cccc6)))))))ccocc5

Functional groups:
c=O, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccoc2)oc2ccccc12

Scaffold Graph/Node level:
OC1CC(C2CCOC2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCC2)CC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzopyrans

ClassyFire Subclass: 1-benzopyrans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavones

NP-Likeness score: 0.566

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Chemical structure download