Summary

IMPPAT Phytochemical identifier: IMPHY009464

Phytochemical name: Pongaglabol

Synonymous chemical names:
pongaglabol, pongaglabol [5-hydroxyfurano(8,7-4",5")flavone]

External chemical identifiers:
CID:12778491

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Chemical structure information

SMILES:
O=c1cc(oc2c1c(O)cc1c2cco1)c1ccccc1

InChI:
InChI=1S/C17H10O4/c18-12-8-14(10-4-2-1-3-5-10)21-17-11-6-7-20-15(11)9-13(19)16(12)17/h1-9,19H

InChIKey:
USQMGTCZKGEZKA-UHFFFAOYSA-N

DeepSMILES:
O=cccocc6cO)ccc6cco5))))))))))cccccc6

Functional groups:
c=O, cO, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2c1ccc1occc12

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2C1CCC1OCCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2C1CCC1CCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavones

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavones

NP-Likeness score: 1.25

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Chemical structure download