Hyrtiosin A
AlkaPlorer ID: AK042551
Synonym: None
IUPAC Name: 2-hydroxy-1-(5-hydroxy-1H-indol-3-yl)ethanone
Structure
SMILES: O=C(CO)C1=CNC2=CC=C(O)C=C12
InChI: InChI=1S/C10H9NO3/c12-5-10(14)8-4-11-9-2-1-6(13)3-7(8)9/h1-4,11-13H,5H2
InChIKey: KJJURYMJNKFPSP-UHFFFAOYSA-N
Reference
Hyrtiazepine, an Azepino-indole-Type Alkaloid from the Red Sea Marine Sponge <i>Hyrtios erectus</i>
PubChem CID: 5324533
LOTUS: LTS0268658
COCONUT: CNP0364703
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hyrtios erectus | Hyrtios | Thorectidae | Dictyoceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 191.186
TPSA？: 73.32
MolLogP？: 1.0484999999999998
Number of H-Donors: 3
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | MIC | 1046100.0 | nM | 10.1016/j.bmcl.2009.01.017 |
| Candida albicans | Isocitrate lyase | IC50 | 61.0 | ug.mL-1 | 10.1016/j.bmcl.2010.10.029 |
| Candida albicans | Isocitrate lyase | IC50 | 318000.0 | nM | 10.1016/j.bmcl.2009.01.017 |
| Candida albicans | Isocitrate lyase | IC50 | 318000.0 | 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 |