Hamacanthin A
AlkaPlorer ID: AK006064
Synonym: None
IUPAC Name: (2S)-2,5-bis(6-bromo-1H-indol-3-yl)-2,3-dihydro-1H-pyrazin-6-one
Structure
SMILES: O=C1N[C@@H](C2=CNC3=CC(Br)=CC=C23)CN=C1C1=CNC2=CC(Br)=CC=C12
InChI: InChI=1S/C20H14Br2N4O/c21-10-1-3-12-14(7-23-16(12)5-10)18-9-25-19(20(27)26-18)15-8-24-17-6-11(22)2-4-13(15)17/h1-8,18,23-24H,9H2,(H,26,27)/t18-/m1/s1
InChIKey: LJVUNJVGWMVCQH-GOSISDBHSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Hamacantha | Hamacanthidae | Merliida | Demospongiae | Porifera | Metazoa | Eukaryota |
| None | Spongosorites | Halichondriidae | Suberitida | Demospongiae | Porifera | Metazoa | Eukaryota |
| None | Spongosorites | Halichondriidae | Suberitida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 486.16700000000014
TPSA？: 73.03999999999999
MolLogP？: 4.834400000000002
Number of H-Donors: 3
Number of H-Acceptors: 2
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus subtilis | Bacillus subtilis | MIC | 3.1 | ug.mL-1 | 10.1021/np50112a014 |
| Bacillus subtilis | Bacillus subtilis | MIC | 3220.0 | nM | 10.1016/j.ejmech.2013.02.024 |
| Candida albicans | Candida albicans | MIC | 1.6 | ug.mL-1 | 10.1021/np50112a014 |
| Cryptococcus neoformans | Cryptococcus neoformans | MIC | 3.1 | ug.mL-1 | 10.1021/np50112a014 |
| Homo sapiens | A549 | ED50 | 4.49 | ug ml-1 | 10.1021/np060206z |
| Homo sapiens | HCT-15 | ED50 | 4.66 | ug ml-1 | 10.1021/np060206z |
| Homo sapiens | SK-MEL-2 | ED50 | 5.44 | ug ml-1 | 10.1021/np060206z |
| Homo sapiens | SK-OV-3 | ED50 | 5.24 | ug ml-1 | 10.1021/np060206z |
| Homo sapiens | XF498 | ED50 | 5.6 | ug ml-1 | 10.1021/np060206z |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 6450.0 | nM | 10.1016/j.ejmech.2013.02.024 |