CHEBI:131784 - xestospongin C

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ChEBI Name xestospongin C
ChEBI ID CHEBI:131784
Definition An organic heteropentacyclic compound that is isolated from the marine sponge Xestospongia exigua.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C28H50N2O2
Net Charge 0
Average Mass 446.710
Monoisotopic Mass 446.38723
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
SMILES [C@@]12(N3CC[C@H](O1)CCCCCC[C@H]4[C@@]5(O[C@H](CCCCCC[C@H]2CCC3)CCN5CCC4)[H])[H]
Metabolite of Species Details
Xestospongia exigua (NCBI:txid595373) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): marine metabolite
Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
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).
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
Araguspongin E ChemIDplus
Araguspongine E ChemIDplus
Registry Numbers Types Sources
7626600 Reaxys Registry Number Reaxys
88903-69-9 CAS Registry Number ChemIDplus
9307275 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
10821794 PubMed citation Europe PMC
25580621 PubMed citation Europe PMC
26912139 PubMed citation Europe PMC
27031052 PubMed citation Europe PMC
27038234 PubMed citation Europe PMC
27062708 PubMed citation Europe PMC
Last Modified
20 April 2016