EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:65842 - 5-O-methyl embelin
| Formula | C18H28O4 |
| Net Charge | 0 |
| Average Mass | 308.418 |
| Monoisotopic Mass | 308.19876 |
| SMILES | CCCCCCCCCCCC1=C(O)C(=O)C=C(OC)C1=O |
| InChI | InChI=1S/C18H28O4/c1-3-4-5-6-7-8-9-10-11-12-14-17(20)15(19)13-16(22-2)18(14)21/h13,20H,3-12H2,1-2H3 |
| InChIKey | KHBJLRRAMCJZLZ-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Embelia ribes (ncbitaxon:459629) | |||
| fruit (BTO:0000486) | PubMed (17124632) | ||
| leaf (BTO:0000713) | PubMed (17124632) | ||
| Oxalis erythrorhiza (IPNI:177985-2) | - | PubMed (12963150) | |
| Lysimachia punctata (ncbitaxon:213289) | root (BTO:0001188) | PubMed (15890461) | Underground part of the plant |
| Aegiceras corniculatum (ncbitaxon:59970) | |||
| twig (BTO:0001411) | DOI (10.1021/np50063a031) | ||
| stem (BTO:0001300) | DOI (10.1021/np50063a031) | ||
| Myrsine africana (ncbitaxon:59982) | fruit (BTO:0000486) | Article (ELECTRON J FOOD PLANTS CHEM, 2007, 2, 20) | |
| Embelia schimperi (IPNI:588468-1) | - | PubMed (11054840) |
| Roles Classification |
|---|
| Biological Roles: | antileishmanial agent An antiprotozoal drug used to treat or prevent infections caused by protozoan parasites that belong to the genus Leishmania. hepatitis C protease inhibitor An inhibitor of hepatitis C protease, an enzyme required for production of proteins needed for viral assembly. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| Applications: | antileishmanial agent An antiprotozoal drug used to treat or prevent infections caused by protozoan parasites that belong to the genus Leishmania. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-O-methyl embelin (CHEBI:65842) has functional parent embelin (CHEBI:4778) |
| 5-O-methyl embelin (CHEBI:65842) has role antileishmanial agent (CHEBI:70868) |
| 5-O-methyl embelin (CHEBI:65842) has role antineoplastic agent (CHEBI:35610) |
| 5-O-methyl embelin (CHEBI:65842) has role hepatitis C protease inhibitor (CHEBI:64924) |
| 5-O-methyl embelin (CHEBI:65842) has role metabolite (CHEBI:25212) |
| 5-O-methyl embelin (CHEBI:65842) is a enol ether (CHEBI:47985) |
| 5-O-methyl embelin (CHEBI:65842) is a monohydroxy-1,4-benzoquinones (CHEBI:67273) |
| IUPAC Name |
|---|
| 2-hydroxy-5-methoxy-3-undecylcyclohexa-2,5-diene-1,4-dione |
| Synonym | Source |
|---|---|
| 2-hydroxy-5-methoxy-3-undecyl-1,4-benzoquinone | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:2469036 | Reaxys |
| CAS:56005-10-8 | ChemIDplus |
| CAS:56005-10-8 | KEGG COMPOUND |
| Citations |
|---|