CHEBI:65495 - bidenlignaside B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name bidenlignaside B
ChEBI ID CHEBI:65495
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 C26H34O12
Net Charge 0
Average Mass 538.54100
Monoisotopic Mass 538.20503
InChI InChI=1S/C26H34O12/c1-35-19-10-14(5-6-16(19)28)17(29)11-18(30)15-8-13(9-20(36-2)22(15)31)4-3-7-37-26-25(34)24(33)23(32)21(12-27)38-26/h3-6,8-10,17-18,21,23-34H,7,11-12H2,1-2H3/b4-3+/t17?,18?,21-,23-,24+,25-,26-/m1/s1
InChIKey XSWHADNOBPLVSA-FBTMRFIHSA-N
SMILES COc1cc(ccc1O)C(O)CC(O)c1cc(\C=C\CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O
Metabolite of Species Details
Bidens parviflora (IPNI:185131-1) Found in whole plant (BTO:0001461). See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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.
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 B (CHEBI:65495) has role histamine antagonist (CHEBI:37956)
bidenlignaside B (CHEBI:65495) has role metabolite (CHEBI:25212)
bidenlignaside B (CHEBI:65495) is a β-D-glucoside (CHEBI:22798)
bidenlignaside B (CHEBI:65495) is a aromatic ether (CHEBI:35618)
bidenlignaside B (CHEBI:65495) is a diol (CHEBI:23824)
bidenlignaside B (CHEBI:65495) is a neolignan (CHEBI:25497)
bidenlignaside B (CHEBI:65495) is a polyphenol (CHEBI:26195)
bidenlignaside B (CHEBI:65495) is a secondary alcohol (CHEBI:35681)
IUPAC Name
(2E)-3-{3-[1,3-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)propyl]-4-hydroxy-5-methoxyphenyl}prop-2-en-1-yl β-D-glucopyranoside
Synonym Source
3-{3-[1,3-dihydroxy-3-(4-hydroxy-3-methoxyphenyl)propyl]-4-hydroxy-5-methoxyphenyl}-allyl-O-β-D-glucoside ChEBI
Registry Number Type Source
10504664 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
16880667 PubMed citation Europe PMC
Last Modified
22 November 2012