160098-92-0
AlkaPlorer ID: AK006065
Synonym: '354538-21-9', '(S)-Hamacanthin A', '(+)-Hamacanthin A'
IUPAC Name: (2R)-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-/m0/s1
InChIKey: LJVUNJVGWMVCQH-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 | 86.34 | ug.mL-1 | 10.1016/j.bmcl.2005.08.021 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 3.12 | ug.mL-1 | 10.1016/j.bmcl.2005.08.021 |