CHEBI:66580 - lissoclibadin 2

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ChEBI Name lissoclibadin 2
ChEBI ID CHEBI:66580
Definition An organosulfur heterocyclic compound isolated from the ascidian Lissoclinum badium. It has been shown to exhibit cytotoxicity against human cancer cell lines.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C26H38N2O4S5
Net Charge 0
Average Mass 602.91600
Monoisotopic Mass 602.14351
InChI InChI=1S/C26H38N2O4S5/c1-27(2)13-11-15-21(33-9)18(30-6)20(32-8)26-23(15)35-25-19(31-7)17(29-5)22(34-10)16(12-14-28(3)4)24(25)36-37-26/h11-14H2,1-10H3
InChIKey MGWYCLOYGLKCFF-UHFFFAOYSA-N
SMILES COc1c(OC)c2ssc3c(CCN(C)C)c(SC)c(OC)c(OC)c3sc2c(CCN(C)C)c1SC
Metabolite of Species Details
Lissoclinum badium (NCBI:txidtxid322848) 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): animal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
marine metabolite
Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing lissoclibadin 2 (CHEBI:66580) has role animal metabolite (CHEBI:75767)
lissoclibadin 2 (CHEBI:66580) has role antineoplastic agent (CHEBI:35610)
lissoclibadin 2 (CHEBI:66580) has role marine metabolite (CHEBI:76507)
lissoclibadin 2 (CHEBI:66580) is a aromatic ether (CHEBI:35618)
lissoclibadin 2 (CHEBI:66580) is a aryl sulfide (CHEBI:35683)
lissoclibadin 2 (CHEBI:66580) is a organic heterotricyclic compound (CHEBI:26979)
lissoclibadin 2 (CHEBI:66580) is a organosulfur heterocyclic compound (CHEBI:38106)
lissoclibadin 2 (CHEBI:66580) is a tertiary amino compound (CHEBI:50996)
IUPAC Name
2,2'-[3,4,9,10-tetramethoxy-2,8-bis(methylsulfanyl)dibenzo[c,f][1,2,5]trithiepine-1,7-diyl]bis(N,N-dimethylethanamine)
Registry Number Type Source
10130382 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
17268087 PubMed citation Europe PMC
Last Modified
27 November 2014
General Comment
2014-10-17 Suggested Classification: ISA:organic sulfide(CHEBI:16385); ISA:methoxybenzene(CHEBI:51683); ISA:aryl sulfide(CHEBI:35683); ISA:aralkylamine(CHEBI:18000); ISA:aromatic ether(CHEBI:35618); ISA:tertiary amine(CHEBI:32876); ISA:organosulfur compound(CHEBI:33261); ISA:organic heterocyclic compound(CHEBI:24532);