(E)-trans-miyabenol C (CHEBI:76193)

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CHEBI:76193 - (E)-trans-miyabenol C

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ChEBI ID	CHEBI:76193
ChEBI Name	(E)-trans-miyabenol C
Stars
ASCII Name	(E)-trans-miyabenol C
Definition	A benzofuran-derived stilbenoid that is a homotrimer obtained by cyclotrimerisation of resveratrol.
Last Modified	19 February 2014
Submitter	mwilliams
Downloads	Molfile

Formula	C42H32O9
Net Charge	0
Average Mass	680.709
Monoisotopic Mass	680.20463
SMILES	Oc1ccc(/C=C/c2cc(O)cc3c2[C@H](c2cc(O)cc4c2[C@@H](c2cc(O)cc(O)c2)[C@H](c2ccc(O)cc2)O4)[C@@H](c2ccc(O)cc2)O3)cc1
InChI	InChI=1S/C42H32O9/c43-27-9-2-22(3-10-27)1-4-25-15-32(48)20-35-37(25)40(42(50-35)24-7-13-29(45)14-8-24)34-19-33(49)21-36-39(34)38(26-16-30(46)18-31(47)17-26)41(51-36)23-5-11-28(44)12-6-23/h1-21,38,40-49H/b4-1+/t38-,40+,41+,42-/m1/s1
InChIKey	RKFYYCKIHVEWHX-YOBICRQBSA-N

Wikipedia

Roles Classification

Chemical Role:	antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Biological Roles:	serotonergic antagonist Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. EC 2.7.11.13 (protein kinase C) inhibitor An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of protein kinase C (EC 2.7.11.13). apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
Applications:	serotonergic antagonist Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology

Outgoing Relation(s)
	(E)-trans-miyabenol C (CHEBI:76193) has functional parent trans-resveratrol (CHEBI:45713)
	(E)-trans-miyabenol C (CHEBI:76193) has role antineoplastic agent (CHEBI:35610)
	(E)-trans-miyabenol C (CHEBI:76193) has role antioxidant (CHEBI:22586)
	(E)-trans-miyabenol C (CHEBI:76193) has role apoptosis inducer (CHEBI:68495)
	(E)-trans-miyabenol C (CHEBI:76193) has role EC 2.7.11.13 (protein kinase C) inhibitor (CHEBI:37700)
	(E)-trans-miyabenol C (CHEBI:76193) has role plant metabolite (CHEBI:76924)
	(E)-trans-miyabenol C (CHEBI:76193) has role serotonergic antagonist (CHEBI:48279)
	(E)-trans-miyabenol C (CHEBI:76193) is a 1-benzofurans (CHEBI:38830)
	(E)-trans-miyabenol C (CHEBI:76193) is a polyphenol (CHEBI:26195)
	(E)-trans-miyabenol C (CHEBI:76193) is a stilbenoid (CHEBI:26776)

IUPAC Name
(2S,2'R,3S,3'R)-3'-(3,5-dihydroxyphenyl)-2,2'-bis(4-hydroxyphenyl)-4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,2',3,3'-tetrahydro-3,4'-bi-1-benzofuran-6,6'-diol

Synonyms	Source
(+)-trans-miyabenol C	ChEBI
trans-miyabenol C	ChEBI
miyabenol C	ChEBI

Manual Xrefs	Databases
EP0998924	Patent
Miyabenol_C	Wikipedia
WO9904776	Patent

Registry Numbers	Sources
Reaxys:4777735	Reaxys

Citations