Lissoclinotoxin E
AlkaPlorer ID: AK112713
Synonym: Lissoclin
IUPAC Name: 2-[9-[2-(dimethylamino)ethyl]-3,4,6,7-tetramethoxy-2,8-bis(methylsulfanyl)thianthren-1-yl]-N,N-dimethylethanamine
Structure
SMILES: COC1=C(SC)C(CCN(C)C)=C2SC3=C(SC2=C1OC)C(OC)=C(OC)C(SC)=C3CCN(C)C
InChI: InChI=1S/C26H38N2O4S4/c1-27(2)13-11-15-21(33-9)17(29-5)19(31-7)25-23(15)35-24-16(12-14-28(3)4)22(34-10)18(30-6)20(32-8)26(24)36-25/h11-14H2,1-10H3
InChIKey: RKXCFLRMPUNAQQ-UHFFFAOYSA-N
Reference
PubChem CID: 12192125
CAS: 541511-99-3
LOTUS: LTS0025582
SuperNatural Ⅲ: SN0328173
NPASS: NPC28414
COCONUT: CNP0326294
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Lissoclinum | Didemnidae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
| unidentified | None | None | None | None | None | None | None |
| None | Lissoclinum | Didemnidae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 570.868
TPSA？: 43.400000000000006
MolLogP？: 5.988800000000008
Number of H-Donors: 0
Number of H-Acceptors: 10
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | NON-PROTEIN TARGET | EC50 | 270.0 | nM | 10.1021/np060593c |