Nakijinamine D; N9-Deacyl, N9-(phenylacetyl)
AlkaPlorer ID: AK307316
Synonym: Nakijinamine H
IUPAC Name: [2-(6-bromo-1H-indol-3-yl)-2-[12-(1-hydroxy-2-phenylethylidene)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: C[N+](C)(C)CC(C1=C(O)C(NC(=O)CC2=CC=CC=C2)=C2[NH+]=CC=C3NC=CC1=C32)C1=CNC2=CC(Br)=CC=C12
InChI: InChI=1S/C32H30BrN5O2/c1-38(2,3)18-24(23-17-36-26-16-20(33)9-10-21(23)26)28-22-11-13-34-25-12-14-35-30(29(22)25)31(32(28)40)37-27(39)15-19-7-5-4-6-8-19/h4-14,16-17,24,36H,15,18H2,1-3H3,(H2-,34,35,37,39,40)/p+2
InChIKey: RCHKBELZOMTAAC-UHFFFAOYSA-P
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Suberites sp. | Suberites | Suberitidae | Suberitida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 598.5450000000001
TPSA？: 91.29
MolLogP？: 6.018800000000005
Number of H-Donors: 4
Number of H-Acceptors: 3
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|