Summary

IMPPAT Phytochemical identifier: IMPHY014655

Phytochemical name: 2'-Hydroxy-3,4,4',6'-tetramethoxy dihydrochalcone

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

External chemical identifiers:
CID:129847722

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Chemical structure information

SMILES:
COc1cc(O)c(c(c1)OC)C(=O)C=CC1C=CC(=C(C1)OC)OC

InChI:
InChI=1S/C19H22O6/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/h5-8,10-12,21H,9H2,1-4H3

InChIKey:
IVTZGXGISGJYLH-UHFFFAOYSA-N

DeepSMILES:
COcccO)ccc6)OC)))C=O)C=CCC=CC=CC6)OC)))OC

Functional groups:
COC1=C(OC)CCC=C1, cC(=O)C=CC, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(C=CC1C=CC=CC1)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: Benzenoids

ClassyFire Class: Phenols

ClassyFire Subclass: Methoxyphenols

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Chalcones

NP-Likeness score: 1.626

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Chemical structure download