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| 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 |
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| Roles Classification |
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| 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 |
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| 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 |
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