loading...| Preferred Name |
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) |
| Definitions |
An organosulfur heterocyclic compound isolated from the ascidian Lissoclinum badium. It has been shown to exhibit cytotoxicity against human cancer cell lines. |
| ID |
http://purl.obolibrary.org/obo/CHEBI_66579 |
| charge |
0 |
| database_cross_reference |
PMID:17268087 Reaxys:9892027 |
| definition |
An organosulfur heterocyclic compound isolated from the ascidian Lissoclinum badium. It has been shown to exhibit cytotoxicity against human cancer cell lines. |
| formula |
C39H57N3O6S7 |
| has role |
http://purl.obolibrary.org/obo/CHEBI_75767 |
| has_exact_synonym |
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) |
| has_obo_namespace |
chebi_ontology |
| id |
CHEBI:66579 |
| in_subset | |
| 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 |
| label |
lissoclibadin 1 |
| mass |
888.34100 |
| monoisotopicmass |
887.22923 |
| notation |
CHEBI:66579 |
| prefLabel |
lissoclibadin 1 |
| 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 |
| treeView |
http://purl.obolibrary.org/obo/CHEBI_50996 http://purl.obolibrary.org/obo/CHEBI_35618 http://purl.obolibrary.org/obo/CHEBI_38163 |
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_50996 http://purl.obolibrary.org/obo/CHEBI_35618 http://purl.obolibrary.org/obo/CHEBI_38163 |
| Delete | Mapping To | Ontology | Source |
|---|---|---|---|
| http://purl.bioontology.org/ontology/MESH/C000621082 | Medical Subject Headings / 医学主题词表 | LOOM |