Terminology Service for NFDI4Health
lissoclibadin 1
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http://purl.obolibrary.org/obo/CHEBI_66579
An organosulfur heterocyclic compound isolated from the ascidian Lissoclinum badium. It has been shown to exhibit cytotoxicity against human cancer cell lines.
Term info
Label
lissoclibadin 1
Synonyms
- 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)
Subsets
3_STAR
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)
[
IUPAC
]
charge
0
formula
C39H57N3O6S7
has obo namespace
chebi_ontology
id
CHEBI:66579
inchi
InChI=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
inchikey
SYYGQWWWVKVZAF-UHFFFAOYSA-N
mass
888.34100
monoisotopicmass
887.22923
smiles
COc1c(OC)c2sc3c(CCN(C)C)c(SC)c(OC)c(OC)c3sc3c(OC)c(OC)c(SC)c(CCN(C)C)c3ssc2c(CCN(C)C)c1SC