Nakijinamine D; N9-Deacyl, N9-(3-methylbutanoyl)
AlkaPlorer ID: AK307315
Synonym: Nakijinamine F
IUPAC Name: [2-(6-bromo-1H-indol-3-yl)-2-[12-(1-hydroxy-3-methylbutylidene)azaniumyl-11-oxo-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-10-yl]ethyl]-trimethylazanium
Structure
SMILES: CC(C)CC(=O)NC1=C(O)C(C(C[N+](C)(C)C)C2=CNC3=CC(Br)=CC=C23)=C2C=CNC3=CC=[NH+]C1=C32
InChI: InChI=1S/C29H32BrN5O2/c1-16(2)12-24(36)34-28-27-26-19(8-10-31-22(26)9-11-32-27)25(29(28)37)21(15-35(3,4)5)20-14-33-23-13-17(30)6-7-18(20)23/h6-11,13-14,16,21,33H,12,15H2,1-5H3,(H2-,31,32,34,36,37)/p+2
InChIKey: GHEDHSSHHYTUKL-UHFFFAOYSA-P
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Suberites sp. | Suberites | Suberitidae | Suberitida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 564.528
TPSA？: 91.29
MolLogP？: 5.822200000000006
Number of H-Donors: 4
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | IC50 | 14200.0 | nM | 10.1016/j.ejmech.2020.112945 |