Nakijinamine C
AlkaPlorer ID: AK307312
Synonym: None
IUPAC Name: [15-[1-(6-bromo-1H-indol-3-yl)-2-(trimethylazaniumyl)ethyl]-13-oxa-4,8,11-triazatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),2,5(16),6,8,10(14),11-heptaen-12-yl]methanesulfonate
Structure
SMILES: C[N+](C)(C)CC(C1=CNC2=CC(Br)=CC=C12)C1=C2OC(CS(=O)(=O)[O-])=NC2=C2NC=CC3=NC=CC1=C32
InChI: InChI=1S/C26H24BrN5O4S/c1-32(2,3)12-18(17-11-30-20-10-14(27)4-5-15(17)20)22-16-6-8-28-19-7-9-29-24(23(16)19)25-26(22)36-21(31-25)13-37(33,34)35/h4-11,18,29-30H,12-13H2,1-3H3
InChIKey: XJFYSRYLJVKJAU-UHFFFAOYSA-N
Reference
CAS: 1309581-84-7
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Suberites sp. | Suberites | Suberitidae | Suberitida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 582.4800000000001
TPSA？: 123.94
MolLogP？: 4.899300000000004
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Aspergillus niger | Aspergillus niger | MIC | 27500.0 | nM | 10.1016/j.ejmech.2020.112945 |