Summary

IMPPAT Phytochemical identifier: IMPHY008774

Phytochemical name: Prosogerin B

Synonymous chemical names:
prosogerin b, prosogerin b (2',4'-dihydroxy-5'-methoxy-3,4-methylenedioxy-chalcone

External chemical identifiers:
CID:42607554, ZINC:ZINC000059772818

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Chemical structure information

SMILES:
COc1cc(C(=O)/C=C/c2ccc3c(c2)OCO3)c(cc1O)O

InChI:
InChI=1S/C17H14O6/c1-21-16-7-11(13(19)8-14(16)20)12(18)4-2-10-3-5-15-17(6-10)23-9-22-15/h2-8,19-20H,9H2,1H3/b4-2+

InChIKey:
ILLNHMJYZGWGBU-DUXPYHPUSA-N

DeepSMILES:
COcccC=O)/C=C/cccccc6)OCO5)))))))))))ccc6O)))O

Functional groups:
c/C=C/C(c)=O, c1cOCO1, cO, 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: 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: 0.691

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Chemical structure download