Phyto4Health

Alpha-Rhamnoisorobin

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL1289337
PubChem: 25079965
IUPAC: 3,5-dihydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
Standard InChI: InChI=1S/C21H20O10/c1-8-15(24)17(26)19(28)21(29-8)30-11-6-12(23)14-13(7-11)31-20(18(27)16(14)25)9-2-4-10(22)5-3-9/h2-8,15,17,19,21-24,26-28H,1H3/t8-,15-,17+,19+,21-/m0/s1
Standard InChI Key: HQNOUCSPWAGQND-GKLNBGJFSA-N
SMILES: O[C@H]1[C@@H](O[C@H]([C@@H]([C@H]1O)O)C)Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(cc1)O

Molecular propeties

AlogP: 0.78
Hydrogen bonds acceptors: 10
Hydrogen bonds donors: 6
Rotatable bonds: 3
Number of rings: 4
Molecular Weight: 432.11
Topological polar surface area: 166
Number of aromatic rings: 3
Fsp3: 0.286
Number of carbons: 21

Plant sources

Part of plant Plant name Ref.
PlantLaurus nobilis
PlantDysphania ambrosioides
PlantRosa roxburghii

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.