Summary

IMPPAT Phytochemical identifier: IMPHY001463

Phytochemical name: Ponganone VI

Synonymous chemical names:
ponganone 6, ponganone vi

External chemical identifiers:
CID:15160707, ZINC:ZINC000059060276

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Chemical structure information

SMILES:
COc1cc(C(=O)/C=C/c2ccc(c(c2)OC)OC)c(c2c1OC(C)(C)C=C2)O

InChI:
InChI=1S/C23H24O6/c1-23(2)11-10-15-21(25)16(13-20(28-5)22(15)29-23)17(24)8-6-14-7-9-18(26-3)19(12-14)27-4/h6-13,25H,1-5H3/b8-6+

InChIKey:
SPRVETRFINSEAB-SOFGYWHQSA-N

DeepSMILES:
COcccC=O)/C=C/cccccc6)OC)))OC)))))))))ccc6OCC)C)C=C6))))))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(C=Cc1ccccc1)c1ccc2c(c1)C=CCO2

Scaffold Graph/Node level:
OC(CCC1CCCCC1)C1CCC2OCCCC2C1

Scaffold Graph level:
CC(CCC1CCCCC1)C1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Linear 1,3-diarylpropanoids

ClassyFire Subclass: Chalcones and dihydrochalcones

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Chalcones

NP-Likeness score: 1.487

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Chemical structure download