Phyto4Health

Avicularin

Representations & DB's id

ChEBI: CHEBI:65460
ChEMBL: CHEMBL471282
PubChem: 5490064
IUPAC: 3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
Standard InChI: InChI=1S/C20H18O11/c21-6-13-15(26)17(28)20(30-13)31-19-16(27)14-11(25)4-8(22)5-12(14)29-18(19)7-1-2-9(23)10(24)3-7/h1-5,13,15,17,20-26,28H,6H2/t13-,15-,17+,20-/m0/s1
Standard InChI Key: BDCDNTVZSILEOY-UXYNSRGZSA-N
SMILES: OC[C@@H]1O[C@H]([C@@H]([C@H]1O)O)Oc1c(oc2c(c1=O)c(O)cc(c2)O)c1ccc(c(c1)O)O

Molecular propeties

AlogP: 0.1
Hydrogen bonds acceptors: 11
Hydrogen bonds donors: 7
Rotatable bonds: 4
Number of rings: 4
Molecular Weight: 434.08
Topological polar surface area: 186
Number of aromatic rings: 3
Fsp3: 0.25
Number of carbons: 20

Plant sources

Part of plant Plant name Ref.
PlantPolygonum aviculare
PlantPolygonum aviculare
PlantHypericum perforatum
LeafJuglans regia
LeafVaccinium vitis-idaea
LeafFoeniculum vulgare

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
IC5019050 nMAldose reductaseP15121