N-Deacetylkuanoniamine D
AlkaPlorer ID: AK053855
Synonym: None
IUPAC Name: 2-(4-thia-6,9,19-triazapentacyclo[10.7.1.03,7.08,20.013,18]icosa-1,3(7),5,8,10,12(20),13,15,17-nonaen-2-yl)ethanamine
Structure
SMILES: NCCC1=C2NC3=CC=CC=C3C3=CC=NC(=C32)C2=C1SC=N2
InChI: InChI=1S/C18H14N4S/c19-7-5-12-15-14-11(10-3-1-2-4-13(10)22-15)6-8-20-16(14)17-18(12)23-9-21-17/h1-4,6,8-9,22H,5,7,19H2
InChIKey: XQGLKIJVEQNZIJ-UHFFFAOYSA-N
Reference
New pyridoacridine alkaloids from the purple morph of the ascidian Cystodytes dellechiajei
PubChem CID: 10403598
LOTUS: LTS0216561
NPASS: NPC147810
COCONUT: CNP0121744
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cystodytes dellechiajei | Cystodytes | Polycitoridae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
| None | Oceanapia | Phloeodictyidae | Haplosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 318.40500000000003
TPSA？: 63.83
MolLogP？: 4.069700000000002
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Artemia salina | Artemia salina | Activity | nan | None | 10.1021/np9702704 |
| Bacillus subtilis | Bacillus subtilis | Activity | nan | None | 10.1021/np9702704 |
| Cladosporium cucumerinum | Cladosporium cucumerinum | Activity | nan | None | 10.1021/np9702704 |
| Escherichia coli | Escherichia coli | Activity | nan | None | 10.1021/np9702704 |
| Escherichia coli | Escherichia coli | MIC | 2500.0 | nM | 10.1021/np900751k |
| Homo sapiens | HeLa | IC50 | 1.2 | ug.mL-1 | 10.1021/np9702704 |
| Homo sapiens | MONO-MAC-6 | IC50 | 2.0 | ug.mL-1 | 10.1021/np9702704 |
| Micrococcus luteus | Micrococcus luteus | MIC | 2500.0 | nM | 10.1021/np900751k |
| Rattus norvegicus | Adenosine A1 receptor | Activity | 36.0 | % | 10.1021/np9702704 |
| Rattus norvegicus | Adenosine A1 receptor | Ki | nan | None | 10.1021/np9702704 |
| Rattus norvegicus | Adenosine A2a receptor | Activity | 46.0 | % | 10.1021/np9702704 |
| Rattus norvegicus | Adenosine A2a receptor | Ki | nan | None | 10.1021/np9702704 |
| Spodoptera littoralis | Spodoptera littoralis | ED50 | 141.0 | ppm | 10.1021/np9702704 |
| None | Unchecked | Activity | 30.0 | % | 10.1021/np9702704 |
| None | Unchecked | Activity | nan | None | 10.1021/np9702704 |