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CHEBI:65494 - bidenlignaside A

ChEBI IDCHEBI:65494
ChEBI Namebidenlignaside A
Stars
DefinitionA neolignan isolated from the whole plant of Bidens parviflora that has been found to inhibit histamine release from the peritoneal exudate mast cells induced by antigen-antibody reaction.
Last Modified7 November 2013
DownloadsMolfile
FormulaC26H32O12
Net Charge0
Average Mass536.530
Monoisotopic Mass536.18938
SMILESCOc1cc(C(=O)CC(O)c2cc(/C=C/CO)cc(OC)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O
InChIInChI=1S/C26H32O12/c1-35-19-10-14(5-6-16(19)29)17(30)11-18(31)15-8-13(4-3-7-27)9-20(36-2)25(15)38-26-24(34)23(33)22(32)21(12-28)37-26/h3-6,8-10,18,21-24,26-29,31-34H,7,11-12H2,1-2H3/b4-3+/t18?,21-,22-,23+,24-,26+/m1/s1
InChIKeySWUYIHFWXBMJBL-FZIOHWLZSA-N
Species of MetaboliteComponentSourceComments
Bidens parviflora (IPNI:185131-1) whole plant (BTO:0001461) PubMed (16880667)
Roles Classification
Biological Roles:
histamine antagonist  Histamine antagonists are the drugs that bind to but do not activate histamine receptors, thereby blocking the actions of histamine or histamine agonists.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
histamine antagonist  Histamine antagonists are the drugs that bind to but do not activate histamine receptors, thereby blocking the actions of histamine or histamine agonists.
ChEBI Ontology
Outgoing Relation(s)
bidenlignaside A (CHEBI:65494) has role histamine antagonist (CHEBI:37956)
bidenlignaside A (CHEBI:65494) has role metabolite (CHEBI:25212)
bidenlignaside A (CHEBI:65494) is a aromatic ether (CHEBI:35618)
bidenlignaside A (CHEBI:65494) is a aromatic ketone (CHEBI:76224)
bidenlignaside A (CHEBI:65494) is a neolignan (CHEBI:25497)
bidenlignaside A (CHEBI:65494) is a phenols (CHEBI:33853)
bidenlignaside A (CHEBI:65494) is a primary alcohol (CHEBI:15734)
bidenlignaside A (CHEBI:65494) is a secondary alcohol (CHEBI:35681)
bidenlignaside A (CHEBI:65494) is a β-D-glucoside (CHEBI:22798)
bidenlignaside A (CHEBI:65494) is a β-hydroxy ketone (CHEBI:55380)
IUPAC Name 
2-[1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-3-oxopropyl]-4-[(1E)-3-hydroxyprop-1-en-1-yl]-6-methoxyphenyl β-D-glucopyranoside
Synonym  Source
3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-[5E-(3-hydroxypropenyl)-3-methoxy-2-O-(β-D-glucosyl)phenyl] propan-1-oneChEBI
Registry NumbersSources
Reaxys:10505609Reaxys
Citations