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lissoclibadin 3

Go to external page http://purl.obolibrary.org/obo/CHEBI_66581

A member of the class of thianthrenes that is thianthrene substituted by methoxy groups at positions 3, 4, 8 and 9, methylsulfanyl groups at positions 2 and 7 and 2-(dimethylamino)ethyl groups at positions 1 and 6. Isolated from the ascidian Lissoclinum badium, it exhibits cytotoxicity against human cancer cells.

Term info

Label

lissoclibadin 3

Synonyms
  • 2,2'-[3,4,8,9-tetramethoxy-2,7-bis(methylsulfanyl)thianthrene-1,6-diyl]bis(N,N-dimethylethanamine)
database cross reference
Subsets

3_STAR

IUPAC NAME
2,2'-[3,4,8,9-tetramethoxy-2,7-bis(methylsulfanyl)thianthrene-1,6-diyl]bis(N,N-dimethylethanamine) [ IUPAC ]

charge

0

formula

C26H38N2O4S4

has obo namespace

chebi_ontology

has related synonym

3,4,8,9-tetramethoxy-N1,N1,N6,N6-tetramethyl-2,7-bis(methylthio)-1,6-thianthrenediethanamine, Lissoclinotoxin E

id

CHEBI:66581

inchi

InChI=1S/C26H38N2O4S4/c1-27(2)13-11-15-21(33-9)17(29-5)19(31-7)25-23(15)35-26-20(32-8)18(30-6)22(34-10)16(24(26)36-25)12-14-28(3)4/h11-14H2,1-10H3

inchikey

DDNBLGHDDGIIFX-UHFFFAOYSA-N

mass

570.85100

monoisotopicmass

570.17144

smiles

COc1c(OC)c2Sc3c(CCN(C)C)c(SC)c(OC)c(OC)c3Sc2c(CCN(C)C)c1SC