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CHEBI:66579 - lissoclibadin 1

ChEBI IDCHEBI:66579
ChEBI Namelissoclibadin 1
Stars
DefinitionAn organosulfur heterocyclic compound isolated from the ascidian Lissoclinum badium. It has been shown to exhibit cytotoxicity against human cancer cell lines.
Last Modified27 November 2014
DownloadsMolfile
FormulaC39H57N3O6S7
Net Charge0
Average Mass888.369
Monoisotopic Mass887.22923
SMILESCOc1c(SC)c(CCN(C)C)c2ssc3c(CCN(C)C)c(SC)c(OC)c(OC)c3sc3c(OC)c(OC)c(SC)c(CCN(C)C)c3sc2c1OC
InChIInChI=1S/C39H57N3O6S7/c1-40(2)19-16-22-31(49-13)25(43-7)28(46-10)37-34(22)52-38-29(47-11)26(44-8)32(50-14)23(17-20-41(3)4)35(38)54-55-36-24(18-21-42(5)6)33(51-15)27(45-9)30(48-12)39(36)53-37/h16-21H2,1-15H3
InChIKeySYYGQWWWVKVZAF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Lissoclinum badium (ncbitaxon:322848) - PubMed (17268087)
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.
animal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
lissoclibadin 1 (CHEBI:66579) has role animal metabolite (CHEBI:75767)
lissoclibadin 1 (CHEBI:66579) has role antineoplastic agent (CHEBI:35610)
lissoclibadin 1 (CHEBI:66579) has role marine metabolite (CHEBI:76507)
lissoclibadin 1 (CHEBI:66579) is a aromatic ether (CHEBI:35618)
lissoclibadin 1 (CHEBI:66579) is a aryl sulfide (CHEBI:35683)
lissoclibadin 1 (CHEBI:66579) is a organic heterotetracyclic compound (CHEBI:38163)
lissoclibadin 1 (CHEBI:66579) is a organosulfur heterocyclic compound (CHEBI:38106)
lissoclibadin 1 (CHEBI:66579) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
2,2',2''-[1,2,9,10,14,15-hexamethoxy-3,8,13-tris(methylsulfanyl)tribenzo[c,f,i][1,2,5,8]tetrathiecine-4,7,12-triyl]tris(N,N-dimethylethanamine)
Registry NumbersSources
Reaxys:9892027Reaxys
Citations