hamacanthin B
AlkaPlorer ID: AK006105
Synonym: '(S)-(+)-Hamacanthin B', '(+)-(S)-Hamacanthin B', '(S)-Hamacanthin B', 'hamacanthin A', 'Hamacanthin B', '160098-93-1'
IUPAC Name: (3R)-3,5-bis(6-bromo-1H-indol-3-yl)-2,3-dihydro-1H-pyrazin-6-one
Structure
SMILES: O=C1NC[C@@H](C2=CNC3=CC(Br)=CC=C23)N=C1C1=CNC2=CC(Br)=CC=C12
InChI: InChI=1S/C20H14Br2N4O/c21-10-1-3-12-14(7-23-16(12)5-10)18-9-25-20(27)19(26-18)15-8-24-17-6-11(22)2-4-13(15)17/h1-8,18,23-24H,9H2,(H,25,27)/t18-/m0/s1
InChIKey: MYXLDFYXMNSXDR-SFHVURJKSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| 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 |
|---|---|---|---|---|---|
| Staphylococcus aureus | Sortase A | IC50 | 68.98 | ug.mL-1 | 10.1016/j.bmcl.2005.08.021 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 6.25 | ug.mL-1 | 10.1016/j.bmcl.2005.08.021 |