Summary

IMPPAT Phytochemical identifier: IMPHY001486

Phytochemical name: Ponganone IX

Synonymous chemical names:
ponganone 9, ponganone ix

External chemical identifiers:
CID:15160710

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Chemical structure information

SMILES:
COC(c1ccc2c(c1)OCO2)CC(=O)c1ccc2c(c1OC)cco2

InChI:
InChI=1S/C20H18O6/c1-22-18(12-3-5-17-19(9-12)26-11-25-17)10-15(21)13-4-6-16-14(7-8-24-16)20(13)23-2/h3-9,18H,10-11H2,1-2H3

InChIKey:
RANWLOKZQCJYQF-UHFFFAOYSA-N

DeepSMILES:
COCcccccc6)OCO5))))))))CC=O)cccccc6OC)))cco5

Functional groups:
COC, c1cOCO1, cC(C)=O, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(CCc1ccc2c(c1)OCO2)c1ccc2occc2c1

Scaffold Graph/Node level:
OC(CCC1CCC2OCOC2C1)C1CCC2OCCC2C1

Scaffold Graph level:
CC(CCC1CCC2CCCC2C1)C1CCC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Butyrophenones

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Chalcones

NP-Likeness score: 0.727

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Chemical structure download