Summary

IMPPAT Phytochemical identifier: IMPHY002569

Phytochemical name: Ponganone VII

Synonymous chemical names:
ponganone 7, ponganone vii

External chemical identifiers:
CID:14542455, ChEMBL:CHEMBL4086867, ZINC:ZINC000013340344

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Chemical structure information

SMILES:
COc1ccc(c(c1)OC)C(=O)CCc1ccc2c(c1)OCO2

InChI:
InChI=1S/C18H18O5/c1-20-13-5-6-14(17(10-13)21-2)15(19)7-3-12-4-8-16-18(9-12)23-11-22-16/h4-6,8-10H,3,7,11H2,1-2H3

InChIKey:
YPJDWRMBYIHNFK-UHFFFAOYSA-N

DeepSMILES:
COcccccc6)OC)))C=O)CCcccccc6)OCO5

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(CCc1ccc2c(c1)OCO2)c1ccccc1

Scaffold Graph/Node level:
OC(CCC1CCC2OCOC2C1)C1CCCCC1

Scaffold Graph level:
CC(CCC1CCC2CCCC2C1)C1CCCCC1

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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: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Chalcones

NP-Likeness score: 0.038

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Chemical structure download