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CHEBI:4778 - embelin
| Formula | C17H26O4 |
| Net Charge | 0 |
| Average Mass | 294.391 |
| Monoisotopic Mass | 294.18311 |
| SMILES | CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O |
| InChI | InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h12,18,21H,2-11H2,1H3 |
| InChIKey | IRSFLDGTOHBADP-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Embelia ribes (ncbitaxon:459629) | |||
| leaf (BTO:0000713) | PubMed (17124632) | ||
| fruit (BTO:0000486) | PubMed (17124632) | ||
| Myrsine africana (ncbitaxon:59982) | fruit (BTO:0000486) | Article (ELECTRON J FOOD PLANTS CHEM, 2007, 2, 20) | |
| Aegiceras corniculatum (ncbitaxon:59970) | |||
| twig (BTO:0001411) | DOI (10.1021/np50063a031) | ||
| stem (BTO:0001300) | DOI (10.1021/np50063a031) | ||
| Lysimachia punctata (ncbitaxon:213289) | root (BTO:0001188) | PubMed (15890461) | Underground part of the plant |
| Embelia schimperi (IPNI:588468-1) | - | PubMed (11054840) | |
| Oxalis erythrorhiza (IPNI:177985-2) | - | PubMed (12963150) |
| Roles Classification |
|---|
| Biological Roles: | hepatitis C protease inhibitor An inhibitor of hepatitis C protease, an enzyme required for production of proteins needed for viral assembly. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| embelin (CHEBI:4778) has role antimicrobial agent (CHEBI:33281) |
| embelin (CHEBI:4778) has role antineoplastic agent (CHEBI:35610) |
| embelin (CHEBI:4778) has role hepatitis C protease inhibitor (CHEBI:64924) |
| embelin (CHEBI:4778) has role plant metabolite (CHEBI:76924) |
| embelin (CHEBI:4778) is a dihydroxy-1,4-benzoquinones (CHEBI:132126) |
| Incoming Relation(s) |
| 5-O-ethyl embelin (CHEBI:65843) has functional parent embelin (CHEBI:4778) |
| 5-O-methyl embelin (CHEBI:65842) has functional parent embelin (CHEBI:4778) |
| IUPAC Name |
|---|
| 2,5-dihydroxy-3-undecylcyclohexa-2,5-diene-1,4-dione |
| Synonyms | Source |
|---|---|
| Embelin | KEGG COMPOUND |
| embelic acid | ChemIDplus |
| 2,5-dihydroxy-3-undecyl-1,4-benzoquinone | ChemIDplus |
| emberine | ChemIDplus |
| Citations |
|---|