bidenlignaside B (CHEBI:65495)

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CHEBI:65495 - bidenlignaside B

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ChEBI ID	CHEBI:65495
ChEBI Name	bidenlignaside B
Stars
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.
Last Modified	22 November 2012
Downloads	Molfile

Formula	C26H34O12
Net Charge	0
Average Mass	538.546
Monoisotopic Mass	538.20503
SMILES	COc1cc(C(O)CC(O)c2cc(/C=C/CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(OC)c2O)ccc1O
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

Species of Metabolite	Component	Source	Comments
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 B (CHEBI:65495) has role histamine antagonist (CHEBI:37956)
	bidenlignaside B (CHEBI:65495) has role metabolite (CHEBI:25212)
	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)
	bidenlignaside B (CHEBI:65495) is a β-D-glucoside (CHEBI:22798)

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 Numbers	Sources
Reaxys:10504664	Reaxys

Citations