CHEBI:92176 - rhaponticin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name rhaponticin
ChEBI ID CHEBI:92176
Definition A stilbenoid that is rhapontigenin substituted at position 3 by a β-D-glucosyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C21H24O9
Net Charge 0
Average Mass 420.414
Monoisotopic Mass 420.14203
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/t17-,18-,19+,20-,21-/m1/s1
InChIKey GKAJCVFOJGXVIA-YMQHIKHWSA-N
SMILES [H]C(=C([H])C1=CC(O)=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C1)C1=CC=C(OC)C(O)=C1
ChEBI Ontology
Outgoing rhaponticin (CHEBI:92176) is a β-D-glucoside (CHEBI:22798)
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)
Incoming 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 Sources
(2S,3R,4S,5S,6R)-2-{3-hydroxy-5-[2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol IUPAC
(2S,3R,4S,5S,6R)-2-{3-hydroxy-5-[2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenoxy}-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol IUPAC
3'5-dihydroxy-4'-methoxystilbene 3-O-β-D-glucopyranoside ChEBI
Manual Xrefs Databases
66120 ChemSpider
LSM-2209 LINCS
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Last Modified
15 April 2021
General Comment
2021-04-15 This is the entry for material with unspecified double bond configuration. There are separate entries for cis- and trans-rhaponticin.