Phyto4Health

Astilbin

Representations & DB's id

ChEBI: CHEBI:38200
ChEMBL: CHEMBL486017
PubChem: 119258
IUPAC: (2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one
Standard InChI: InChI=1S/C21H22O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-26,28-29H,1H3/t7-,15-,17+,18+,19+,20-,21-/m0/s1
Standard InChI Key: ZROGCCBNZBKLEL-MPRHSVQHSA-N
SMILES: Oc1cc(O)c2c(c1)O[C@@H]([C@H](C2=O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)c1ccc(c(c1)O)O

Molecular propeties

AlogP: 0.04
Hydrogen bonds acceptors: 11
Hydrogen bonds donors: 7
Rotatable bonds: 3
Number of rings: 4
Molecular Weight: 450.12
Topological polar surface area: 186
Number of aromatic rings: 2
Fsp3: 0.381
Number of carbons: 21

Plant sources

Part of plant Plant name Ref.
PericarpVitis vinifera
HerbaHypericum perforatum
PlantArctium lappa

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.