EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H22O5 |
| Net Charge | 0 |
| Average Mass | 378.424 |
| Monoisotopic Mass | 378.14672 |
| SMILES | CC(C)=CCc1c2c(c(O)c3c(=O)c4cc(O)ccc4oc13)C=CC(C)(C)O2 |
| InChI | InChI=1S/C23H22O5/c1-12(2)5-7-15-21-14(9-10-23(3,4)28-21)19(25)18-20(26)16-11-13(24)6-8-17(16)27-22(15)18/h5-6,8-11,24-25H,7H2,1-4H3 |
| InChIKey | BFPCRQCNDMJVOT-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Calophyllum brasiliense (IPNI:427115-1) | stem (BTO:0001300) | PubMed (11908963) | Previous component: stem bark; |
| Roles Classification |
|---|
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| brasixanthone B (CHEBI:65519) has role antineoplastic agent (CHEBI:35610) |
| brasixanthone B (CHEBI:65519) has role metabolite (CHEBI:25212) |
| brasixanthone B (CHEBI:65519) is a polyphenol (CHEBI:26195) |
| brasixanthone B (CHEBI:65519) is a pyranoxanthones (CHEBI:71238) |
| Synonyms | Source |
|---|---|
| cudraxanthone Q | ChEBI |
| 5,8-dihydroxy-2,2-dimethyl-12-(3-methylbut-2-en-1-yl)-2H,6H-pyrano[3,2-b]xanthen-6-one | IUPAC |
| Manual Xrefs | Databases |
|---|---|
| 8537718 | ChemSpider |
| Registry Numbers | Sources |
|---|---|
| Reaxys:8800172 | Reaxys |
| Citations |
|---|