1008752-06-4
AlkaPlorer ID: AK003131
Synonym: '', 'Manzamine F', '107900-75-4', '(+)-Manzamine F'
IUPAC Name: (1R,2R,4S,12R,13S,16Z)-13-hydroxy-25-(8-hydroxy-9H-pyrido[3,4-b]indol-1-yl)-11,22-diazapentacyclo[11.11.2.12,22.02,12.04,11]heptacosa-16,25-dien-7-one
Structure
SMILES: O=C1CCCN2[C@@H](CC1)C[C@]13CN4CCCC/C=C\CC[C@](O)(C=C(C5=NC=CC6=C5NC5=C6C=CC=C5O)[C@@H]1CC4)[C@H]23
InChI: InChI=1S/C36H44N4O3/c41-25-9-8-19-40-24(12-13-25)21-35-23-39-18-6-4-2-1-3-5-16-36(43,34(35)40)22-28(29(35)15-20-39)32-33-27(14-17-37-32)26-10-7-11-30(42)31(26)38-33/h1,3,7,10-11,14,17,22,24,29,34,38,42-43H,2,4-6,8-9,12-13,15-16,18-21,23H2/b3-1-/t24-,29-,34+,35-,36-/m0/s1
InChIKey: KYLZDBBEWRTKTG-PYBBOEBHSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 580.7730000000001
TPSA？: 92.69
MolLogP？: 5.964400000000008
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | C-33-A | Activity | nan | None | 10.1021/acs.jnatprod.9b00577 |
| Homo sapiens | Ca-Ski | Activity | nan | None | 10.1021/acs.jnatprod.9b00577 |
| Homo sapiens | HeLa | Activity | nan | None | 10.1021/acs.jnatprod.9b00577 |
| Homo sapiens | SiHa | Activity | nan | None | 10.1021/acs.jnatprod.9b00577 |
| Homo sapiens | SU.86.86 | Activity | 20.0 | % | 10.1016/j.bmc.2019.115279 |
| Mycobacterium intracellulare | Mycobacterium intracellulare | IC50 | 3.5 | ug.mL-1 | 10.1016/j.ejmech.2017.06.005 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | 0.4 | ug.mL-1 | 10.1016/j.ejmech.2017.06.005 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | 690.0 | nM | 10.1016/j.ejmech.2019.01.026 |