Isoprosopilosidine
AlkaPlorer ID: AK325322
Synonym: None
IUPAC Name: (2R,3R,6S)-6-[10-[8-[10-[(2R,5R,6S)-5-hydroxy-6-methylpiperidin-2-yl]decyl]-2,3-dihydro-1H-indolizin-4-ium-6-yl]decyl]-2-methylpiperidin-3-ol
Structure
SMILES: C[C@@H]1N[C@H](CCCCCCCCCCC2=C3CCC[N+]3=CC(CCCCCCCCCC[C@H]3CC[C@@H](O)[C@@H](C)N3)=C2)CC[C@H]1O
InChI: InChI=1S/C40H72N3O2/c1-32-39(44)27-25-36(41-32)22-17-13-9-5-3-7-11-15-20-34-30-35(38-24-19-29-43(38)31-34)21-16-12-8-4-6-10-14-18-23-37-26-28-40(45)33(2)42-37/h30-33,36-37,39-42,44-45H,3-29H2,1-2H3/q+1/t32-,33+,36+,37-,39-,40-/m1/s1
InChIKey: ZSATVXRUAGIIJL-NMHXFYNSSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Prosopis glandulosa | Prosopis | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 627.0350000000004
TPSA？: 68.4
MolLogP？: 8.02990000000001
Number of H-Donors: 4
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Aspergillus fumigatus | Aspergillus fumigatus | IC50 | 6.5 | ug.mL-1 | 10.1021/np800653z |
| Aspergillus fumigatus | Aspergillus fumigatus | MFC | 10.0 | ug ml-1 | 10.1021/np800653z |
| Aspergillus fumigatus | Aspergillus fumigatus | MIC | 10.0 | ug.mL-1 | 10.1021/np800653z |
| Candida albicans | Candida albicans | IC50 | nan | None | 10.1021/np800653z |
| Candida albicans | Candida albicans | MFC | nan | None | 10.1021/np800653z |
| Candida albicans | Candida albicans | MIC | nan | None | 10.1021/np800653z |
| Chlorocebus sabaeus | Vero | IC50 | 23.8 | ug.mL-1 | 10.1021/np800653z |
| Chlorocebus sabaeus | Vero | IC50 | nan | None | 10.1021/np800653z |
| Cryptococcus neoformans | Cryptococcus neoformans | IC50 | 0.55 | ug.mL-1 | 10.1021/np800653z |
| Cryptococcus neoformans | Cryptococcus neoformans | MFC | 1.25 | ug ml-1 | 10.1021/np800653z |
| Cryptococcus neoformans | Cryptococcus neoformans | MIC | 1.25 | ug.mL-1 | 10.1021/np800653z |
| Homo sapiens | BT-549 | IC50 | 6.75 | ug.mL-1 | 10.1021/np800653z |
| Homo sapiens | KB | IC50 | 7.0 | ug.mL-1 | 10.1021/np800653z |
| Homo sapiens | SK-MEL | IC50 | 3.3 | ug.mL-1 | 10.1021/np800653z |
| Homo sapiens | SK-OV-3 | IC50 | 4.5 | ug.mL-1 | 10.1021/np800653z |
| Leishmania donovani | Leishmania donovani | IC50 | 0.8 | ug.mL-1 | 10.1021/np800653z |
| Leishmania donovani | Leishmania donovani | IC90 | 2.5 | ug.mL-1 | 10.1021/np800653z |
| Mycobacterium intracellulare | Mycobacterium intracellulare | IC50 | 1.5 | ug.mL-1 | 10.1021/np800653z |
| Mycobacterium intracellulare | Mycobacterium intracellulare | MBC | nan | None | 10.1021/np800653z |
| Mycobacterium intracellulare | Mycobacterium intracellulare | MIC | 2.5 | ug.mL-1 | 10.1021/np800653z |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 0.042 | ug.mL-1 | 10.1021/np800653z |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 0.12 | ug.mL-1 | 10.1021/np800653z |
| Staphylococcus aureus | Staphylococcus aureus | IC50 | 0.6 | ug.mL-1 | 10.1021/np800653z |
| Staphylococcus aureus | Staphylococcus aureus | MBC | 20.0 | ug ml-1 | 10.1021/np800653z |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 1.25 | ug.mL-1 | 10.1021/np800653z |
| Sus scrofa | LLC-PK1 | IC50 | 21.3 | ug.mL-1 | 10.1021/np800653z |
| None | Unchecked | Ratio IC50 | 198.0 | None | 10.1021/np800653z |
| None | Unchecked | Ratio IC50 | 567.0 | None | 10.1021/np800653z |