Summary

IMPPAT Phytochemical identifier: IMPHY005948

Phytochemical name: Flemichapparin

Synonymous chemical names:
2',4'-dihydroxy-5'-methoxychalcone (flemichapparin), flemichapparin

External chemical identifiers:
CID:5374076

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Chemical structure information

SMILES:
COc1cc(C(=O)/C=C/c2ccccc2)c(cc1O)O

InChI:
InChI=1S/C16H14O4/c1-20-16-9-12(14(18)10-15(16)19)13(17)8-7-11-5-3-2-4-6-11/h2-10,18-19H,1H3/b8-7+

InChIKey:
HHKHXCOFQIAPMB-BQYQJAHWSA-N

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

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(C=Cc1ccccc1)c1ccccc1

Scaffold Graph/Node level:
OC(CCC1CCCCC1)C1CCCCC1

Scaffold Graph level:
CC(CCC1CCCCC1)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: 0.604

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Chemical structure download