8-hydroxymanzamine A
AlkaPlorer ID: AK041593
Synonym: '', '8-Hydroxymanzamine A'
IUPAC Name: (1R,2R,4R,5Z,12R,13S,16Z)-25-(8-hydroxy-9H-pyrido[3,4-b]indol-1-yl)-11,22-diazapentacyclo[11.11.2.12,22.02,12.04,11]heptacosa-5,16,25-trien-13-ol
Structure
SMILES: OC1=CC=CC2=C1NC1=C2C=CN=C1C1=C[C@@]2(O)CC/C=C\CCCCN3CC[C@@H]1[C@]1(C[C@@H]4/C=C\CCCCN4[C@H]12)C3
InChI: InChI=1S/C36H44N4O2/c41-30-14-11-13-26-27-15-18-37-32(33(27)38-31(26)30)28-23-36(42)17-8-4-1-2-5-9-19-39-21-16-29(28)35(24-39)22-25-12-7-3-6-10-20-40(25)34(35)36/h1,4,7,11-15,18,23,25,29,34,38,41-42H,2-3,5-6,8-10,16-17,19-22,24H2/b4-1-,12-7-/t25-,29-,34+,35-,36-/m0/s1
InChIKey: AMSNINGPDSUBHZ-WAUQNXBMSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Phloeodictyidae | Haplosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 564.7740000000003
TPSA？: 75.61999999999999
MolLogP？: 6.561400000000007
Number of H-Donors: 3
Number of H-Acceptors: 5
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 | KB | IC50 | 0.3 | ug.mL-1 | 10.1016/j.ejmech.2021.113688 |
| Homo sapiens | Keratinocyte | Activity | nan | None | 10.1021/acs.jnatprod.9b00577 |
| Homo sapiens | LoVo | IC50 | 0.26 | ug.mL-1 | 10.1016/j.ejmech.2021.113688 |
| 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 |
| Micrococcus luteus | Micrococcus luteus | MIC | 0.91 | ug.mL-1 | 10.1016/j.ejmech.2018.08.027 |
| Plasmodium | Plasmodium | IC50 | 0.0061 | ug.mL-1 | 10.1016/j.ejmech.2021.113536 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 0.006 | ug.mL-1 | 10.1016/j.ejmech.2021.113536 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 0.008 | ug.mL-1 | 10.1016/j.ejmech.2021.113536 |