Lissoclinotoxin A
AlkaPlorer ID: AK043703
Synonym: 9-(2-Aminoethyl)-6-methoxy-7-benzopentathiepinol
IUPAC Name: 9-(2-aminoethyl)-6-methoxy-1,2,3,4,5-benzopentathiepin-7-ol
Structure
SMILES: COC1=C(O)C=C(CCN)C2=C1SSSSS2
InChI: InChI=1S/C9H11NO2S5/c1-12-7-6(11)4-5(2-3-10)8-9(7)14-16-17-15-13-8/h4,11H,2-3,10H2,1H3
InChIKey: WQAHCFFHBFQTRE-UHFFFAOYSA-N
Reference
Five new alkaloids from the tropical ascidian, Lissoclinum sp. lissoclinotoxin A is chiral
PubChem CID: 10471582
LOTUS: LTS0104290
NPASS: NPC271167
COCONUT: CNP0248716
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 325.527
TPSA？: 55.48
MolLogP？: 3.959400000000002
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | MIC | 40.0 | ug.mL-1 | 10.1021/acs.jnatprod.7b00575 |
| Citrobacter | Citrobacter | MIC | 0.1 | ug.mL-1 | 10.1021/acs.jnatprod.7b00575 |
| Enterobacter sp. | Enterobacter sp. | MIC | 0.1 | ug.mL-1 | 10.1021/acs.jnatprod.7b00575 |
| Enterococcus faecalis | Enterococcus faecalis | MIC | 0.1 | ug.mL-1 | 10.1021/acs.jnatprod.7b00575 |
| Escherichia coli | Escherichia coli | MIC | 0.1 | ug.mL-1 | 10.1021/acs.jnatprod.7b00575 |
| Klebsiella sp. | Klebsiella sp. | MIC | 0.1 | ug.mL-1 | 10.1021/acs.jnatprod.7b00575 |
| Mus musculus | L1210 | IC50 | 1.0 | ug.mL-1 | 10.1021/acs.jnatprod.7b00575 |
| Proteus sp. | Proteus sp. | MIC | 0.1 | ug.mL-1 | 10.1021/acs.jnatprod.7b00575 |
| Salmonella sp. | Salmonella sp. | MIC | 0.1 | ug.mL-1 | 10.1021/acs.jnatprod.7b00575 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 0.1 | ug.mL-1 | 10.1021/acs.jnatprod.7b00575 |
| Trichophyton mentagrophytes | Trichophyton mentagrophytes | MIC | 20.0 | ug.mL-1 | 10.1021/acs.jnatprod.7b00575 |