Hyrtiosulawesine
AlkaPlorer ID: AK048423
Synonym: None
IUPAC Name: (5-hydroxy-1H-indol-3-yl)-(6-hydroxy-9H-pyrido[3,4-b]indol-1-yl)methanone
Structure
SMILES: O=C(C1=CNC2=CC=C(O)C=C12)C1=NC=CC2=C1NC1=CC=C(O)C=C12
InChI: InChI=1S/C20H13N3O3/c24-10-1-3-16-14(8-10)15(9-22-16)20(26)19-18-12(5-6-21-19)13-7-11(25)2-4-17(13)23-18/h1-9,22-25H
InChIKey: OATSYJQLKPRTBO-UHFFFAOYSA-N
Reference
Hyrtiazepine, an Azepino-indole-Type Alkaloid from the Red Sea Marine Sponge <i>Hyrtios erectus</i>
PubChem CID: 636664
CAS: 452067-33-3
LOTUS: LTS0111250
COCONUT: CNP0273887
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hyrtios erectus | Hyrtios | Thorectidae | Dictyoceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 343.3420000000001
TPSA？: 102.0
MolLogP？: 3.839600000000001
Number of H-Donors: 4
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Crotalus adamanteus | Phospholipase A2 alpha | IC50 | 14000.0 | nM | 10.1021/np060132r |