Lissoclibadin 2; 5-De(methylthio), 3-O-de-Me
AlkaPlorer ID: AK005750
Synonym: Lissoclibadin 5
IUPAC Name: 4,10-bis[2-(dimethylamino)ethyl]-1,2,8-trimethoxy-3-methylsulfanylbenzo[c][1,2,5]benzotrithiepin-7-ol
Structure
SMILES: COC1=CC(CCN(C)C)=C2SC3=C(OC)C(OC)=C(SC)C(CCN(C)C)=C3SSC2=C1O
InChI: InChI=1S/C24H34N2O4S4/c1-25(2)11-9-14-13-16(28-5)17(27)23-20(14)32-24-19(30-7)18(29-6)21(31-8)15(10-12-26(3)4)22(24)33-34-23/h13,27H,9-12H2,1-8H3
InChIKey: PGVMTGVDGHUSFT-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Lissoclinum | Didemnidae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
| None | Lissoclinum | Didemnidae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 542.8140000000003
TPSA？: 54.400000000000006
MolLogP？: 5.963400000000007
Number of H-Donors: 1
Number of H-Acceptors: 10
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Escherichia coli | Escherichia coli | IZ | 11.6 | mm | 10.1021/acs.jnatprod.7b00575 |
| Escherichia coli | Escherichia coli | IZ | 11.6 | mm | 10.1021/np060593c |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | IZ | 6.2 | mm | 10.1021/np060593c |
| Staphylococcus aureus | Staphylococcus aureus | IZ | 9.0 | mm | 10.1021/np060593c |
| Staphylococcus aureus | Staphylococcus aureus | IZ | 15.8 | mm | 10.1021/acs.jnatprod.7b00575 |
| Staphylococcus aureus | Staphylococcus aureus | IZ | 15.8 | mm | 10.1021/np060593c |
| None | NON-PROTEIN TARGET | EC50 | 60.0 | nM | 10.1021/np060593c |