Manzamine J
AlkaPlorer ID: AK047701
Synonym: None
IUPAC Name: (1R,2R,5Z,12R,13S,16Z)-25-(9H-pyrido[3,4-b]indol-1-yl)-11,22-diazatetracyclo[11.11.2.12,22.02,12]heptacosa-5,16,25-trien-13-ol
Structure
SMILES: O[C@]12C=C(C3=NC=CC4=C3NC3=CC=CC=C34)[C@@H]3CCN(CCCC/C=C\CC1)C[C@@]31CC/C=C\CCCCN[C@H]12
InChI: InChI=1S/C36H46N4O/c41-36-20-12-6-2-4-8-14-23-40-24-18-30(35(26-40)19-11-5-1-3-7-13-21-38-34(35)36)29(25-36)32-33-28(17-22-37-32)27-15-9-10-16-31(27)39-33/h1-2,5-6,9-10,15-17,22,25,30,34,38-39,41H,3-4,7-8,11-14,18-21,23-24,26H2/b5-1-,6-2-/t30-,34+,35-,36-/m0/s1
InChIKey: FDTXAASVSUUWOT-GSXVTLMESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Xestospongia | Petrosiidae | Haplosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
| None | Acanthostrongylophora | Petrosiidae | Haplosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
| None | Xestospongia | Petrosiidae | Haplosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 550.7910000000005
TPSA？: 64.18
MolLogP？: 7.151300000000007
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Chlorocebus sabaeus | Vero | Activity | nan | None | 10.1021/np0400095 |
| Cryptococcus neoformans | Cryptococcus neoformans | Activity | nan | None | 10.1021/np0400095 |
| Human immunodeficiency virus 1 | Human immunodeficiency virus 1 | EC50 | nan | None | 10.1021/np0400095 |
| Leishmania donovani | Leishmania donovani | IC50 | 25.0 | ug.mL-1 | 10.1021/np0400095 |
| Leishmania donovani | Leishmania donovani | IC90 | 45.0 | ug.mL-1 | 10.1021/np0400095 |
| Mus musculus | L1210 | IC50 | 2.6 | ug.mL-1 | 10.1016/j.ejmech.2021.113688 |
| Mus musculus | L5178Y | ED50 | 25.0 | ug ml-1 | 10.1021/np9604083 |
| Mycobacterium intracellulare | Mycobacterium intracellulare | IC50 | 15.0 | ug.mL-1 | 10.1021/np0400095 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | 1.7 | ug.mL-1 | 10.1021/np0400095 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 0.75 | ug.mL-1 | 10.1021/np0400095 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 1.3 | ug.mL-1 | 10.1021/np0400095 |
| Spodoptera littoralis | Spodoptera littoralis | Inhibition | 2.0 | % | 10.1021/np9604083 |
| Staphylococcus aureus | Staphylococcus aureus | Activity | nan | None | 10.1021/np0400095 |