CHEBI:65494 - bidenlignaside A

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ChEBI Name bidenlignaside A
ChEBI ID CHEBI:65494
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C26H32O12
Net Charge 0
Average Mass 536.52510
Monoisotopic Mass 536.18938
InChI InChI=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
InChIKey SWUYIHFWXBMJBL-FZIOHWLZSA-N
SMILES COc1cc(ccc1O)C(=O)CC(O)c1cc(\C=C\CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Metabolite of Species Details
Bidens parviflora (IPNI:185131-1) Found in whole plant (BTO:0001461). See: PubMed
Roles Classification
Biological Role(s): 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(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 β-D-glucoside (CHEBI:22798)
bidenlignaside A (CHEBI:65494) is a β-hydroxy ketone (CHEBI:55380)
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)
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-one ChEBI
Registry Number Type Source
10505609 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
16880667 PubMed citation Europe PMC
Last Modified
07 November 2013