Summary

IMPPAT Phytochemical identifier: IMPHY001487

Phytochemical name: Ponganone X

Synonymous chemical names:
ponganone 10, ponganone x

External chemical identifiers:
CID:15160713, ZINC:ZINC000102943593

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Chemical structure information

SMILES:
COc1cc(OC)c(c(c1)OC)C(=O)/C=C(/c1ccc2c(c1)OCO2)O

InChI:
InChI=1S/C19H18O7/c1-22-12-7-17(23-2)19(18(8-12)24-3)14(21)9-13(20)11-4-5-15-16(6-11)26-10-25-15/h4-9,20H,10H2,1-3H3/b13-9-

InChIKey:
WGOHQWRDEQYATJ-LCYFTJDESA-N

DeepSMILES:
COcccOC))ccc6)OC)))C=O)/C=C/cccccc6)OCO5))))))))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(C=Cc1ccc2c(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: Phenylpropanoids and polyketides

ClassyFire Class: Cinnamic acids and derivatives

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Chalcones

NP-Likeness score: 0.39

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Chemical structure download