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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: | IP3 receptor antagonist An antagonist that binds to and deactivates IP3 receptors. 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). marine metabolite Any metabolite produced during a metabolic reaction in marine macro- and microorganisms. 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 |
|---|---|
| Araguspongine E | ChemIDplus |
| Araguspongin E | ChemIDplus |
| Registry Numbers | Sources |
|---|---|
| Reaxys:7626600 | Reaxys |
| Reaxys:9307275 | Reaxys |
| CAS:88903-69-9 | ChemIDplus |
| Citations |
|---|