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CHEBI:28157 - pinocembrin
| Formula | C15H12O4 |
| Net Charge | 0 |
| Average Mass | 256.257 |
| Monoisotopic Mass | 256.07356 |
| SMILES | O=C1C[C@@H](c2ccccc2)Oc2cc(O)cc(O)c21 |
| InChI | InChI=1S/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2/t13-/m0/s1 |
| InChIKey | URFCJEUYXNAHFI-ZDUSSCGKSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Piper sarmentosum (ncbitaxon:405319) | |||
| twig (BTO:0001411) | PubMed (21973101) | Chloroform soluble extract of aerial parts(leaves, twigs, stems, inflorescence) | |
| leaf (BTO:0000713) | PubMed (21973101) | Chloroform soluble extract of aerial parts(leaves, twigs, stems, inflorescence) | |
| stem (BTO:0001300) | PubMed (21973101) | Chloroform soluble extract of aerial parts(leaves, twigs, stems, inflorescence) | |
| inflorescence (BTO:0000628) | PubMed (21973101) | Chloroform soluble extract of aerial parts(leaves, twigs, stems, inflorescence) | |
| Cryptocarya chartacea (IPNI:895985-1) | trunk bark (BTO:0001494) | PubMed (22050318) | Ethyl acetate extract of air-dried and powdered trunk bark |
| Roles Classification |
|---|
| Chemical Role: | antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. |
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| Applications: | vasodilator agent A drug used to cause dilation of the blood vessels. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. neuroprotective agent Any compound that can be used for the treatment of neurodegenerative disorders. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| pinocembrin (CHEBI:28157) has role antineoplastic agent (CHEBI:35610) |
| pinocembrin (CHEBI:28157) has role antioxidant (CHEBI:22586) |
| pinocembrin (CHEBI:28157) has role metabolite (CHEBI:25212) |
| pinocembrin (CHEBI:28157) has role neuroprotective agent (CHEBI:63726) |
| pinocembrin (CHEBI:28157) has role vasodilator agent (CHEBI:35620) |
| pinocembrin (CHEBI:28157) is a (2S)-flavan-4-one (CHEBI:140377) |
| pinocembrin (CHEBI:28157) is a dihydroxyflavanone (CHEBI:38749) |
| Incoming Relation(s) |
| (2S)-2-hydroxypinocembrin (CHEBI:141996) has functional parent pinocembrin (CHEBI:28157) |
| (2S)-8-methylpinocembrin (CHEBI:70663) has functional parent pinocembrin (CHEBI:28157) |
| glabranin (CHEBI:5368) has functional parent pinocembrin (CHEBI:28157) |
| pinocembrin 7-rhamnosylglucoside (CHEBI:8222) has functional parent pinocembrin (CHEBI:28157) |
| IUPAC Name |
|---|
| (2S)-5,7-dihydroxy-2-phenyl-2,3-dihydro-4H-chromen-4-one |
| Synonyms | Source |
|---|---|
| 5,7-Dihydroxyflavanone | KEGG COMPOUND |
| Galangin flavanone | HMDB |
| Dihydrochrysin | ChemIDplus |
| (S)-2,3-Dihydro-5,7-dihydroxy-2-phenyl-4H-1-benzopyran-4-one | ChemIDplus |
| (S)-5,7-dihydroxyflavanone | ChEBI |
| (2S)-pinocembrin | HMDB |
| UniProt Name | Source |
|---|---|
| (S)-pinocembrin | UniProt |
| Manual Xrefs | Databases |
|---|---|
| C09827 | KEGG COMPOUND |
| LMPK12140214 | LIPID MAPS |
| HMDB0030808 | HMDB |
| CPD-6991 | MetaCyc |
| Pinocembrin | Wikipedia |
| C00000992 | KNApSAcK |
| LSM-4126 | LINCS |
| Registry Numbers | Sources |
|---|---|
| Reaxys:88951 | Reaxys |
| CAS:480-39-7 | KEGG COMPOUND |
| CAS:480-39-7 | ChemIDplus |
| Citations |
|---|