Summary

IMPPAT Phytochemical identifier: IMPHY002375

Phytochemical name: Isopongaglabol

Synonymous chemical names:
isopongaglabol

Chemical structure information

SMILES:
COc1ccc(cc1)c1cc(=O)c2c(o1)c1ccoc1cc2

InChI:
InChI=1S/C18H12O4/c1-20-12-4-2-11(3-5-12)17-10-15(19)13-6-7-16-14(8-9-21-16)18(13)22-17/h2-10H,1H3

InChIKey:
TVQDAUGFXODUEY-UHFFFAOYSA-N

DeepSMILES:
COcccccc6))ccc=O)cco6)cccoc5cc9

Functional groups:
c=O, cOC, 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: 0.688

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Chemical structure download