CHEBI:169947 - cis-rhaponticin

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ChEBI Name cis-rhaponticin
ChEBI ID CHEBI:169947
ChEBI ASCII Name cis-rhaponticin
Definition A rhaponticin in which the double bond adopts a cis-configuration.
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/b3-2-/t17-,18-,19+,20-,21-/m1/s1
InChIKey GKAJCVFOJGXVIA-JGOUSXGWSA-N
SMILES COC1=CC=C(\C=C/C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C2)C=C1O
Metabolite of Species Details
Rheum undulatum (NCBI:txid137227) Found in rhizome (BTO:0001181). See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
phytoestrogen
Any compound produced by a plant that happens to have estrogenic activity.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing cis-rhaponticin (CHEBI:169947) has role phytoestrogen (CHEBI:76989)
cis-rhaponticin (CHEBI:169947) has role plant metabolite (CHEBI:76924)
cis-rhaponticin (CHEBI:169947) is a rhaponticin (CHEBI:92176)
IUPAC Name
3-hydroxy-5-[(Z)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenyl β-D-glucopyranoside
Synonyms Sources
(2S,3R,4S,5S,6R)-2-{3-hydroxy-5-[(Z)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol IUPAC
(2S,3R,4S,5S,6R)-2-{3-hydroxy-5-[(Z)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenoxy}-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol IUPAC
(Z)-rhaponticin ChEBI
Citation Waiting for Citations Type Source
29402747 PubMed citation Europe PMC
Last Modified
15 April 2021