Viscosamine
AlkaPlorer ID: AK001386
Synonym: None
IUPAC Name: 1,19,37-triazoniatetracyclo[49.3.1.115,19.133,37]heptapentaconta-1(54),15(57),16,18,33(56),34,36,51(55),52-nonaene;triiodide
Structure
SMILES: C1CCCCCCC2=C[N+](=CC=C2)CCCCCCCCCCCCCC3=C[N+](=CC=C3)CCCCCCCCCCCCCC4=C[N+](=CC=C4)CCCCCC1.[I-].[I-].[I-]
InChI: InChI=1S/C54H90N3.3HI/c1-4-10-16-22-28-37-52-40-34-47-56(49-52)44-32-26-20-14-8-3-6-12-18-24-30-39-54-42-36-48-57(51-54)45-33-27-21-15-9-2-5-11-17-23-29-38-53-41-35-46-55(50-53)43-31-25-19-13-7-1;;;/h34-36,40-42,46-51H,1-33,37-39,43-45H2;3*1H/q+3;;;/p-3
InChIKey: BIIBCBUWSMIWFO-UHFFFAOYSA-K
Reference
PubChem CID: 56935788
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Haliclona viscosa | Haliclona | Chalinidae | Haplosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
| None | None | None | Haplosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1162.0469999999996
TPSA？: 11.64
MolLogP？: 5.475900000000011
Number of H-Donors: 0
Number of H-Acceptors: 0
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HEK-293T | EC50 | 26000.0 | nM | 10.1021/ml200160k |
| Leishmania major | Leishmania major | EC50 | 720.0 | nM | 10.1021/ml200160k |
| Leishmania mexicana | Leishmania mexicana | EC50 | 810.0 | nM | 10.1021/ml200160k |
| Plasmodium falciparum | Plasmodium falciparum | EC50 | 53.0 | nM | 10.1021/ml200160k |
| Trypanosoma brucei brucei | Trypanosoma brucei brucei | Activity | nan | None | 10.1021/ml200160k |
| Trypanosoma brucei brucei | Trypanosoma brucei brucei | EC50 | 280.0 | nM | 10.1021/ml200160k |
| Trypanosoma brucei brucei | Trypanosoma brucei brucei | EC50 | 410.0 | nM | 10.1021/ml200160k |
| Trypanosoma brucei brucei | Trypanosoma brucei brucei | EC50 | 490.0 | nM | 10.1021/ml200160k |
| None | ADMET | Ratio EC50 | 493.0 | None | 10.1021/ml200160k |