CHEBI:92176 - rhaponticin

ChEBI IDCHEBI:92176
ChEBI Namerhaponticin
Stars
DefinitionA stilbenoid that is rhapontigenin substituted at position 3 by a β-D-glucosyl group.
Last Modified15 April 2021
DownloadsMolfile
FormulaC21H24O9
Net Charge0
Average Mass420.414
Monoisotopic Mass420.14203
SMILES[H]C(=C([H])c1ccc(OC)c(O)c1)c1cc(O)cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1
InChIInChI=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/t17-,18-,19+,20-,21-/m1/s1
InChIKeyGKAJCVFOJGXVIA-YMQHIKHWSA-N
ChEBI Ontology
Outgoing Relation(s)
rhaponticin (CHEBI:92176) is a monomethoxybenzene (CHEBI:25235)
rhaponticin (CHEBI:92176) is a monosaccharide derivative (CHEBI:63367)
rhaponticin (CHEBI:92176) is a polyphenol (CHEBI:26195)
rhaponticin (CHEBI:92176) is a stilbenoid (CHEBI:26776)
rhaponticin (CHEBI:92176) is a β-D-glucoside (CHEBI:22798)
Incoming Relation(s)
cis-rhaponticin (CHEBI:169947) is a rhaponticin (CHEBI:92176)
trans-rhaponticin (CHEBI:8824) is a rhaponticin (CHEBI:92176)
IUPAC Name 
3-hydroxy-5-[2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenyl β-D-glucopyranoside
Synonyms  Source
(2S,3R,4S,5S,6R)-2-{3-hydroxy-5-[2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenoxy}-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triolIUPAC
(2S,3R,4S,5S,6R)-2-{3-hydroxy-5-[2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triolIUPAC
3'5-dihydroxy-4'-methoxystilbene 3-O-β-D-glucopyranosideChEBI
Manual XrefsDatabases
LSM-2209LINCS
66120ChemSpider