Hyrtiosin B
AlkaPlorer ID: AK042557
Synonym: None
IUPAC Name: 1,2-bis(5-hydroxy-1H-indol-3-yl)ethane-1,2-dione
Structure
SMILES: O=C(C(=O)C1=CNC2=CC=C(O)C=C12)C1=CNC2=CC=C(O)C=C12
InChI: InChI=1S/C18H12N2O4/c21-9-1-3-15-11(5-9)13(7-19-15)17(23)18(24)14-8-20-16-4-2-10(22)6-12(14)16/h1-8,19-22H
InChIKey: URWBQCGXPJSAQI-UHFFFAOYSA-N
Reference
Hyrtiazepine, an Azepino-indole-Type Alkaloid from the Red Sea Marine Sponge <i>Hyrtios erectus</i>
PubChem CID: 638389
LOTUS: LTS0234291
COCONUT: CNP0142746
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hyrtios erectus | Hyrtios | Thorectidae | Dictyoceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 320.3040000000001
TPSA？: 106.18
MolLogP？: 3.1259999999999994
Number of H-Donors: 4
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | MIC | 624400.0 | nM | 10.1016/j.bmcl.2009.01.017 |
| Candida albicans | Isocitrate lyase | IC50 | 29.0 | ug.mL-1 | 10.1016/j.bmcl.2010.10.029 |
| Candida albicans | Isocitrate lyase | IC50 | 89000.0 | nM | 10.1016/j.bmcl.2009.01.017 |
| Candida albicans | Isocitrate lyase | IC50 | 89000.0 | nM | 10.1016/j.bmcl.2010.10.029 |
| Staphylococcus aureus | Sortase A | IC50 | 100.0 | ug.mL-1 | 10.1016/j.bmcl.2010.10.029 |