Phyto4Health

Swertisin

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL486415
PubChem: 124034
IUPAC: 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
Standard InChI: InChI=1S/C22H22O10/c1-30-13-7-14-16(11(25)6-12(31-14)9-2-4-10(24)5-3-9)19(27)17(13)22-21(29)20(28)18(26)15(8-23)32-22/h2-7,15,18,20-24,26-29H,8H2,1H3/t15-,18-,20+,21-,22+/m1/s1
Standard InChI Key: ABRULANJVVJLFI-DGHBBABESA-N
SMILES: OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(OC)cc2c(c1O)c(=O)cc(o2)c1ccc(cc1)O

Molecular propeties

AlogP: 0.39
Hydrogen bonds acceptors: 10
Hydrogen bonds donors: 6
Rotatable bonds: 4
Number of rings: 4
Molecular Weight: 446.12
Topological polar surface area: 166
Number of aromatic rings: 3
Fsp3: 0.318
Number of carbons: 22

Plant sources

Part of plant Plant name Ref.
PlantOryza sativa
PlantOryza sativa

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.