Summary

IMPPAT Phytochemical identifier: IMPHY006500

Phytochemical name: Dihydrokaempferide

Synonymous chemical names:
dihydrokaempferide

External chemical identifiers:
CID:586387, ChEMBL:CHEMBL480655

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Chemical structure information

SMILES:
COc1ccc(cc1)C1Oc2cc(O)cc(c2C(=O)C1O)O

InChI:
InChI=1S/C16H14O6/c1-21-10-4-2-8(3-5-10)16-15(20)14(19)13-11(18)6-9(17)7-12(13)22-16/h2-7,15-18,20H,1H3

InChIKey:
CKDYDMSDCNQHEB-UHFFFAOYSA-N

DeepSMILES:
COcccccc6))COcccO)ccc6C=O)C%10O))))O

Functional groups:
CO, cC(C)=O, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2ccccc2)Oc2ccccc21

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: O-methylated flavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Dihydroflavonols

NP-Likeness score: 1.897

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Chemical structure download