ent-12,34-oxamanzamine F
AlkaPlorer ID: AK003329
Synonym: None
IUPAC Name: (1R,2S,10R,12S,13S,21Z)-26-(8-hydroxy-9H-pyrido[3,4-b]indol-1-yl)-28-oxa-3,16-diazahexacyclo[11.11.2.11,10.112,16.02,12.03,10]octacosa-21,25-dien-7-one
Structure
SMILES: C1CCN2CC[C@@H]3C(=C[C@]4(CC/C=C\C1)[C@@H]5[C@@]3(C2)C[C@]6(N5CCCC(=O)CC6)O4)C7=NC=CC8=C7NC9=C8C=CC=C9O
InChI: InChI=1S/C36H42N4O3/c41-24-9-8-19-40-33-34-22-36(40,16-12-24)43-35(33)15-5-3-1-2-4-6-18-39(23-34)20-14-28(34)27(21-35)31-32-26(13-17-37-31)25-10-7-11-29(42)30(25)38-32/h1,3,7,10-11,13,17,21,28,33,38,42H,2,4-6,8-9,12,14-16,18-20,22-23H2/b3-1-/t28-,33+,34-,35-,36-/m1/s1
InChIKey: DXMMIKSQJPJNFC-JAMYLUIBSA-N
Reference
PubChem CID: 15966759
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 578.7570000000004
TPSA？: 81.69
MolLogP？: 6.330000000000008
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bos taurus | Acetylcholinesterase | Activity | nan | None | 10.1021/np0601399 |
| Chlorocebus sabaeus | Vero | Activity | nan | None | 10.1021/np0601399 |
| Cryptococcus neoformans | Cryptococcus neoformans | Activity | nan | None | 10.1021/np0601399 |
| Homo sapiens | Beta-secretase 1 | Activity | nan | None | 10.1021/np0601399 |
| Human immunodeficiency virus 1 | Human immunodeficiency virus 1 | IC50 | 14.9 | ug.mL-1 | 10.1021/np0601399 |
| Leishmania donovani | Leishmania donovani | Activity | nan | None | 10.1021/np0601399 |
| Mycobacterium intracellulare | Mycobacterium intracellulare | Activity | nan | None | 10.1021/np0601399 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | 12.5 | ug.mL-1 | 10.1021/np0601399 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 0.84 | ug.mL-1 | 10.1021/np0601399 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 1.1 | ug.mL-1 | 10.1021/np0601399 |
| Staphylococcus aureus | Staphylococcus aureus | Activity | nan | None | 10.1021/np0601399 |