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CHEBI:8630 - pterostilbene
| Formula | C16H16O3 |
| Net Charge | 0 |
| Average Mass | 256.301 |
| Monoisotopic Mass | 256.10994 |
| SMILES | COc1cc(/C=C/c2ccc(O)cc2)cc(OC)c1 |
| InChI | InChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3/b4-3+ |
| InChIKey | VLEUZFDZJKSGMX-ONEGZZNKSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Vitis vinifera (ncbitaxon:29760) | |||
| fruit (BTO:0000486) | PubMed (11312782) | ||
| leaf (BTO:0000713) | PubMed (11312782) | ||
| Pterocarpus marsupium (IPNI:516505-1) | heartwood (PO:0004512) | DOI (10.1021/np50031a029) | |
| Vaccinium (ncbitaxon:13749) | fruit (BTO:0000486) | PubMed (15264904) |
| Roles Classification |
|---|
| Chemical Roles: | antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. radical scavenger A role played by a substance that can react readily with, and thereby eliminate, radicals. |
| Biological Roles: | neurotransmitter An endogenous compound that is used to transmit information across the synapse between a neuron and another cell. apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| Applications: | anti-inflammatory agent Any compound that has anti-inflammatory effects. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. hypoglycemic agent A drug which lowers the blood glucose level. neuroprotective agent Any compound that can be used for the treatment of neurodegenerative disorders. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| pterostilbene (CHEBI:8630) has parent hydride trans-stilbene (CHEBI:36007) |
| pterostilbene (CHEBI:8630) has role anti-inflammatory agent (CHEBI:67079) |
| pterostilbene (CHEBI:8630) has role antineoplastic agent (CHEBI:35610) |
| pterostilbene (CHEBI:8630) has role antioxidant (CHEBI:22586) |
| pterostilbene (CHEBI:8630) has role apoptosis inducer (CHEBI:68495) |
| pterostilbene (CHEBI:8630) has role hypoglycemic agent (CHEBI:35526) |
| pterostilbene (CHEBI:8630) has role neuroprotective agent (CHEBI:63726) |
| pterostilbene (CHEBI:8630) has role neurotransmitter (CHEBI:25512) |
| pterostilbene (CHEBI:8630) has role plant metabolite (CHEBI:76924) |
| pterostilbene (CHEBI:8630) has role radical scavenger (CHEBI:48578) |
| pterostilbene (CHEBI:8630) is a diether (CHEBI:46786) |
| pterostilbene (CHEBI:8630) is a methoxybenzenes (CHEBI:51683) |
| pterostilbene (CHEBI:8630) is a stilbenol (CHEBI:36027) |
| IUPAC Name |
|---|
| 4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenol |
| Synonyms | Source |
|---|---|
| Pterostilbene | KEGG COMPOUND |
| 4-(2-(3,5-Dimethoxyphenyl)ethenyl)phenol | ChemIDplus |
| 3',5'-dimethoxy-4-stilbenol | ChemIDplus |
| (E)-3',5'-dimethoxy-4-stilbenol | ChemIDplus |
| (E)-4'-hydroxy-3,5-dimethoxystilbene | ChEBI |
| (E)-1-hydroxy-4-(3,5-dimethoxy)styrylbenzene | ChEBI |
| UniProt Name | Source |
|---|---|
| pterostilbene | UniProt |
| Manual Xrefs | Databases |
|---|---|
| C10287 | KEGG COMPOUND |
| LMPK13090015 | LIPID MAPS |
| Pterostilbene | Wikipedia |
| CPD-6959 | MetaCyc |
| EP2445488 | Patent |
| KR20120000824 | Patent |
| US2011224290 | Patent |
| CN101912377 | Patent |
| C00002902 | KNApSAcK |
| LSM-43245 | LINCS |
| 3RL | PDBeChem |
| FDB012375 | FooDB |
| HMDB0130987 | HMDB |
| 4445042 | ChemSpider |
| Registry Numbers | Sources |
|---|---|
| Reaxys:2054316 | Reaxys |
| CAS:537-42-8 | KEGG COMPOUND |
| CAS:537-42-8 | ChemIDplus |
| Citations |
|---|