Summary

IMPPAT Phytochemical identifier: IMPHY013498

Phytochemical name: Dihydroisorhamnetin

Synonymous chemical names:
dihydroisorhamnetin

External chemical identifiers:
CID:56658060, ChEMBL:CHEMBL1822704, ChEBI:175075, SureChEMBL:SCHEMBL16887921

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Chemical structure information

SMILES:
COc1cc(ccc1O)C1Oc2cc(O)cc(c2C(=O)C1O)O

InChI:
InChI=1S/C16H14O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,15-19,21H,1H3

InChIKey:
JWYULKXTGMJKKM-UHFFFAOYSA-N

DeepSMILES:
COcccccc6O))))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: 2.143

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Chemical structure download