Phyto4Health

Rhodionin

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL596258
PubChem: 46226584
IUPAC: 3,5,8-trihydroxy-2-(4-hydroxyphenyl)-7-[(3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
Standard InChI: InChI=1S/C21H20O11/c1-7-13(24)16(27)18(29)21(30-7)31-11-6-10(23)12-15(26)17(28)19(32-20(12)14(11)25)8-2-4-9(22)5-3-8/h2-7,13,16,18,21-25,27-29H,1H3/t7-,13-,16+,18+,21?/m0/s1
Standard InChI Key: CIAXXTSXVCLEJK-GPRRHACJSA-N
SMILES: O[C@H]1C(O[C@H]([C@@H]([C@H]1O)O)C)Oc1cc(O)c2c(c1O)oc(c(c2=O)O)c1ccc(cc1)O

Molecular propeties

AlogP: 0.49
Hydrogen bonds acceptors: 11
Hydrogen bonds donors: 7
Rotatable bonds: 3
Number of rings: 4
Molecular Weight: 448.1
Topological polar surface area: 186
Number of aromatic rings: 3
Fsp3: 0.286
Number of carbons: 21

Plant sources

Part of plant Plant name Ref.
PlantRhodiola rosea

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.