Summary

IMPPAT Phytochemical identifier: IMPHY009077

Phytochemical name: Pongapinone A

Synonymous chemical names:
pongapinone a

External chemical identifiers:
CID:6438794

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Chemical structure information

SMILES:
COc1cc2OC(C)(C)C=Cc2c(c1C(=O)/C=C(/c1ccc2c(c1)OCO2)O)OC

InChI:
InChI=1S/C23H22O7/c1-23(2)8-7-14-18(30-23)11-20(26-3)21(22(14)27-4)16(25)10-15(24)13-5-6-17-19(9-13)29-12-28-17/h5-11,24H,12H2,1-4H3/b15-10-

InChIKey:
CHMQLCYFVBURMW-GDNBJRDFSA-N

DeepSMILES:
COcccOCC)C)C=Cc6cc%10C=O)/C=C/cccccc6)OCO5))))))))O)))))OC

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(C=Cc1ccc2c(c1)OCO2)c1ccc2c(c1)C=CCO2

Scaffold Graph/Node level:
OC(CCC1CCC2OCOC2C1)C1CCC2OCCCC2C1

Scaffold Graph level:
CC(CCC1CCC2CCCC2C1)C1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzopyrans

ClassyFire Subclass: 1-benzopyrans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Chalcones

NP-Likeness score: 1.543

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Chemical structure download