(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:	apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms. 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). 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.
Applications:	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. serotonergic antagonist Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.

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