EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:2899 - trans-astringin

ChEBI IDCHEBI:2899
ChEBI Nametrans-astringin
Stars
ASCII Nametrans-astringin
DefinitionA stilbenoid that is piceatannol substituted at position 3 by a β-D-glucosyl residue.
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H22O9
Net Charge0
Average Mass406.387
Monoisotopic Mass406.12638
SMILESOC[C@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccc(O)c(O)c3)c2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-13-6-11(5-12(22)8-13)2-1-10-3-4-14(23)15(24)7-10/h1-8,16-27H,9H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1
InChIKeyPERPNFLGJXUDDW-CUYWLFDKSA-N
Wikipedia
Roles Classification
Chemical Role:
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
trans-astringin (CHEBI:2899) has functional parent piceatannol (CHEBI:28814)
trans-astringin (CHEBI:2899) has role antineoplastic agent (CHEBI:35610)
trans-astringin (CHEBI:2899) has role antioxidant (CHEBI:22586)
trans-astringin (CHEBI:2899) has role metabolite (CHEBI:25212)
trans-astringin (CHEBI:2899) is a monosaccharide derivative (CHEBI:63367)
trans-astringin (CHEBI:2899) is a polyphenol (CHEBI:26195)
trans-astringin (CHEBI:2899) is a stilbenoid (CHEBI:26776)
trans-astringin (CHEBI:2899) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
3-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-5-hydroxyphenyl β-D-glucopyranoside
Synonyms  Source
AstringinKEGG COMPOUND
(E)-AstringinChemIDplus
3,4,3',5'-Tetrahydroxystilbene 3'-glucosideChemIDplus
piceatannol 3-β-D-glucosideChEBI
piceatannol 3-O-β-D-glucosideChEBI
piceatannol 3-β-glucosideChEBI
Manual XrefsDatabases
C10245KEGG COMPOUND
AstringinWikipedia
LMPK13090007LIPID MAPS
C00002870KNApSAcK
Registry NumbersSources
Reaxys:1408080Reaxys
CAS:29884-49-9KEGG COMPOUND
CAS:29884-49-9ChemIDplus
Citations