Summary

IMPPAT Phytochemical identifier: IMPHY002073

Phytochemical name: Aromadendrin

Synonymous chemical names:
+-dihydrokaempferol, aromadendrin, dihydrokaempferol

External chemical identifiers:
CID:122850, ChEMBL:CHEMBL9323, ChEBI:15401, ZINC:ZINC000013517387, FDASRS:7YA4640575, SureChEMBL:SCHEMBL2036629, MolPort-016-638-406

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Chemical structure information

SMILES:
Oc1ccc(cc1)[C@H]1Oc2cc(O)cc(c2C(=O)[C@@H]1O)O

InChI:
InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1

InChIKey:
PADQINQHPQKXNL-LSDHHAIUSA-N

DeepSMILES:
Occcccc6))[C@H]OcccO)ccc6C=O)[C@@H]%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: Flavans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Dihydroflavonols

NP-Likeness score: 2.158

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Chemical structure download