Nakijinamine A; Debromo
AlkaPlorer ID: AK307311
Synonym: Nakijinamine B
IUPAC Name: [2-(12-hydroxy-11-oxo-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-10-yl)-2-(1H-indol-3-yl)ethyl]-trimethylazanium
Structure
SMILES: C[N+](C)(C)CC(C1=CNC2=CC=CC=C12)C1=C(O)C(O)=C2NC=CC3=NC=CC1=C32
InChI: InChI=1S/C24H24N4O2/c1-28(2,3)13-17(16-12-27-18-7-5-4-6-14(16)18)20-15-8-10-25-19-9-11-26-22(21(15)19)24(30)23(20)29/h4-12,17,27H,13H2,1-3H3,(H2-,25,26,29,30)/p+1
InChIKey: NTXHZXUCUATDRY-UHFFFAOYSA-O
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Suberites sp. | Suberites | Suberitidae | Suberitida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 401.49000000000007
TPSA？: 81.17
MolLogP？: 4.361600000000005
Number of H-Donors: 4
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | IC50 | 19900.0 | nM | 10.1016/j.ejmech.2020.112945 |