Summary

IMPPAT Phytochemical identifier: IMPHY012832

Phytochemical name: 2'-Hydroxy-3,4,4',6'-tetramethoxychalcone

Synonymous chemical names:
2'-hydroxy-3,4,4',6'-tetramethoxychalcone

External chemical identifiers:
CID:5373259, ChEMBL:CHEMBL243830, ZINC:ZINC000004100776, SureChEMBL:SCHEMBL5432732, MolPort-001-742-660

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Chemical structure information

SMILES:
COc1cc(O)c(c(c1)OC)C(=O)/C=C/c1ccc(c(c1)OC)OC

InChI:
InChI=1S/C19H20O6/c1-22-13-10-15(21)19(18(11-13)25-4)14(20)7-5-12-6-8-16(23-2)17(9-12)24-3/h5-11,21H,1-4H3/b7-5+

InChIKey:
CEBBHGDAHZDJTP-FNORWQNLSA-N

DeepSMILES:
COcccO)ccc6)OC)))C=O)/C=C/cccccc6)OC)))OC

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: 0.55

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Chemical structure download