EMBL-EBI | Chemical Biology Resources | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:131784 - xestospongin C
| Formula | C28H50N2O2 |
| Net Charge | 0 |
| Average Mass | 446.720 |
| Monoisotopic Mass | 446.38723 |
| SMILES | [H][C@]12O[C@@H]3CCCCCC[C@H]4CCCN5CC[C@@H](CCCCCC[C@@H]1CCCN2CC3)O[C@@]45[H] |
| InChI | InChI=1S/C28H50N2O2/c1-3-7-15-25-17-21-30-20-10-14-24(28(30)31-25)12-6-2-4-8-16-26-18-22-29-19-9-13-23(11-5-1)27(29)32-26/h23-28H,1-22H2/t23-,24+,25-,26-,27+,28+/m1/s1 |
| InChIKey | PQYOPBRFUUEHRC-HCKQMYSWSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Xestospongia exigua (ncbitaxon:595373) | - | PubMed (25580621) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | marine metabolite Any metabolite produced during a metabolic reaction in marine macro- and microorganisms. EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor An EC 2.7.10.* (protein-tyrosine kinase) inhibitor that interferes with the action of receptor protein-tyrosine kinase (EC 2.7.10.1). IP3 receptor antagonist An antagonist that binds to and deactivates IP3 receptors. 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) |
| xestospongin C (CHEBI:131784) has role antineoplastic agent (CHEBI:35610) |
| xestospongin C (CHEBI:131784) has role EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor (CHEBI:62434) |
| xestospongin C (CHEBI:131784) has role IP3 receptor antagonist (CHEBI:131186) |
| xestospongin C (CHEBI:131784) has role marine metabolite (CHEBI:76507) |
| xestospongin C (CHEBI:131784) is a alkaloid (CHEBI:22315) |
| xestospongin C (CHEBI:131784) is a macrocycle (CHEBI:51026) |
| xestospongin C (CHEBI:131784) is a organic heteropentacyclic compound (CHEBI:38164) |
| xestospongin C (CHEBI:131784) is a organonitrogen heterocyclic compound (CHEBI:38101) |
| xestospongin C (CHEBI:131784) is a oxacycle (CHEBI:38104) |
| xestospongin C (CHEBI:131784) is a tertiary amino compound (CHEBI:50996) |
| IUPAC Name |
|---|
| (4aR,11R,12aS,16aS,23R,24aS)-icosahydro-2H,5H,12aH,14H-1,23:11,13-diethano[1,11]dioxacycloicosino[10,9-b:20,19-b']dipyridine |
| Synonyms | Source |
|---|---|
| Araguspongin E | ChemIDplus |
| Araguspongine E | ChemIDplus |
| Registry Numbers | Sources |
|---|---|
| Reaxys:7626600 | Reaxys |
| Reaxys:9307275 | Reaxys |
| CAS:88903-69-9 | ChemIDplus |
| Citations |
|---|