Summary

IMPPAT Phytochemical identifier: IMPHY005438

Phytochemical name: Dihydromyricetin

Synonymous chemical names:
(+)-dihydromyricetin, ampelopsin, dihydro derivative(ampelopsin), dihydromyricetin

External chemical identifiers:
CID:161557, ChEMBL:CHEMBL3348861, ChEBI:28429, ZINC:ZINC000100037633, FDASRS:KD8QND6427, SureChEMBL:SCHEMBL723736, MolPort-006-069-341

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Chemical structure information

SMILES:
Oc1cc2O[C@H](c3cc(O)c(c(c3)O)O)[C@H](C(=O)c2c(c1)O)O

InChI:
InChI=1S/C15H12O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,14-20,22H/t14-,15+/m0/s1

InChIKey:
KJXSIXMJHKAJOD-LSDHHAIUSA-N

DeepSMILES:
OcccO[C@H]cccO)ccc6)O))O)))))[C@H]C=O)c6cc%10)O))))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: Flavans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Dihydroflavonols

NP-Likeness score: 2.268

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Chemical structure download