Nakijinamine A
AlkaPlorer ID: AK307310
Synonym: None
IUPAC Name: [2-(6-bromo-1H-indol-3-yl)-2-(11,12-dihydroxy-6-aza-2-azoniatricyclo[7.3.1.05,13]trideca-1,3,5(13),7,9,11-hexaen-10-yl)ethyl]-trimethylazanium
Structure
SMILES: C[N+](C)(C)CC(C1=C(O)C(O)=C2[NH+]=CC=C3NC=CC1=C32)C1=CNC2=CC(Br)=CC=C12
InChI: InChI=1S/C24H23BrN4O2/c1-29(2,3)12-17(16-11-28-19-10-13(25)4-5-14(16)19)20-15-6-8-26-18-7-9-27-22(21(15)18)24(31)23(20)30/h4-11,17,28H,12H2,1-3H3,(H2-,26,27,30,31)/p+2
InChIKey: SEYPOVFNBREYAZ-UHFFFAOYSA-P
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Suberites sp. | Suberites | Suberitidae | Suberitida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 481.3940000000002
TPSA？: 82.41999999999999
MolLogP？: 4.543200000000003
Number of H-Donors: 4
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus subtilis | Bacillus subtilis | IC50 | 4200.0 | nM | 10.1016/j.ejmech.2020.112945 |
| Candida albicans | Candida albicans | IC50 | 500.0 | nM | 10.1016/j.ejmech.2020.112945 |
| Cryptococcus neoformans | Cryptococcus neoformans | IC50 | 500.0 | nM | 10.1016/j.ejmech.2020.112945 |
| Micrococcus luteus | Micrococcus luteus | IC50 | 4200.0 | nM | 10.1016/j.ejmech.2020.112945 |
| Staphylococcus aureus | Staphylococcus aureus | IC50 | 4200.0 | nM | 10.1016/j.ejmech.2020.112945 |
| Trichophyton mentagrophytes | Trichophyton mentagrophytes | IC50 | 500.0 | nM | 10.1016/j.ejmech.2020.112945 |