CHEBI:68325 - bastadin 4

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ChEBI Name bastadin 4
ChEBI ID CHEBI:68325
Definition A macrocyclic lactam isolated from the marine sponge Ianthella and has been shown to exhibit calcium channel modulatory activity.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C34H25Br5N4O8
Net Charge 0
Average Mass 1017.10400
Monoisotopic Mass 1011.75893
InChI InChI=1S/C34H25Br5N4O8/c35-20-3-1-16-5-7-40-33(46)25(43-49)13-18-9-21(36)30(44)28(15-18)51-32-22(37)10-17(11-23(32)38)12-24(42-48)34(47)41-8-6-19-2-4-26(31(45)29(19)39)50-27(20)14-16/h1-5,7,9-11,14-15,44-45,48-49H,6,8,12-13H2,(H,40,46)(H,41,47)/b7-5+,42-24+,43-25+
InChIKey NWOWVTKBRVUTEE-PBUNXQQKSA-N
SMILES O\N=C1/Cc2cc(Br)c(Oc3cc(C\C(C(=O)N\C=C\c4ccc(Br)c(Oc5ccc(CCNC1=O)c(Br)c5O)c4)=N/O)cc(Br)c3O)c(Br)c2
Metabolite of Species Details
Ianthella (NCBI:txid375145) See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
calcium channel modulator
A membrane transport modulator that is able to regulate intracellular calcium levels.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing bastadin 4 (CHEBI:68325) has role calcium channel modulator (CHEBI:38808)
bastadin 4 (CHEBI:68325) has role metabolite (CHEBI:25212)
bastadin 4 (CHEBI:68325) is a cyclic ether (CHEBI:37407)
bastadin 4 (CHEBI:68325) is a ketoxime (CHEBI:24983)
bastadin 4 (CHEBI:68325) is a lactam (CHEBI:24995)
bastadin 4 (CHEBI:68325) is a macrocycle (CHEBI:51026)
bastadin 4 (CHEBI:68325) is a organobromine compound (CHEBI:37141)
bastadin 4 (CHEBI:68325) is a polyphenol (CHEBI:26195)
IUPAC Name
(8E,12E,25E)-4,16,21,31,36-pentabromo-17,32-dihydroxy-12,25-bis(hydroxyimino)-2,19-dioxa-10,27-diazapentacyclo[28.2.2.220,23.13,7.114,18]octatriaconta-1(32),3(38),4,6,8,14(37),15,17,20,22,30,33,35-tridecaene-11,26-dione
Registry Number Type Source
18860975 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21214221 PubMed citation Europe PMC
Last Modified
22 July 2013