Summary

IMPPAT Phytochemical identifier: IMPHY013002

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

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

External chemical identifiers:
CID:10337542, ChEMBL:CHEMBL1254091, ZINC:ZINC000004252738, SureChEMBL:SCHEMBL5426849, MolPort-009-754-940

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Chemical structure information

SMILES:
COc1cc(O)c(c(c1)OC)C(=O)/C=C/c1cccc(c1OC)OC

InChI:
InChI=1S/C19H20O6/c1-22-13-10-15(21)18(17(11-13)24-3)14(20)9-8-12-6-5-7-16(23-2)19(12)25-4/h5-11,21H,1-4H3/b9-8+

InChIKey:
LYUYMCWIWGASRX-CMDGGOBGSA-N

DeepSMILES:
COcccO)ccc6)OC)))C=O)/C=C/cccccc6OC)))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: 0.459

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Chemical structure download