Phyto4Health

Rhapontin

Representations & DB's id

ChEBI: CHEBI:8824
ChEMBL: CHEMBL109266
PubChem: 637213
IUPAC: (2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Standard InChI: InChI=1S/C21H24O9/c1-28-16-5-4-11(8-15(16)24)2-3-12-6-13(23)9-14(7-12)29-21-20(27)19(26)18(25)17(10-22)30-21/h2-9,17-27H,10H2,1H3/b3-2+/t17-,18-,19+,20-,21-/m1/s1
Standard InChI Key: GKAJCVFOJGXVIA-DXKBKAGUSA-N
SMILES: OC[C@H]1O[C@@H](Oc2cc(/C=C/c3ccc(c(c3)O)OC)cc(c2)O)[C@@H]([C@H]([C@@H]1O)O)O

Molecular propeties

AlogP: 0.46
Hydrogen bonds acceptors: 9
Hydrogen bonds donors: 6
Rotatable bonds: 6
Number of rings: 3
Molecular Weight: 420.14
Topological polar surface area: 149
Number of aromatic rings: 2
Fsp3: 0.333
Number of carbons: 21

Plant sources

Part of plant Plant name Ref.
PlantVerbascum thapsiforme
PlantTanacetum coccineum
RootRheum palmatum

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.