11-hydroxy-4,8,12-trimethyl-2-azatricyclo[7.3.1.0?,¹³]trideca-1,3,5,7,9(13),11-hexaen-10-one
AlkaPlorer ID: AK048661
Synonym: None
IUPAC Name: 8-hydroxy-3,6,9-trimethylbenzo[de]quinolin-7-one
Structure
SMILES: CC1=C(O)C(=O)C2=C(C)C=CC3=C(C)C=NC1=C23
InChI: InChI=1S/C15H13NO2/c1-7-4-5-10-8(2)6-16-13-9(3)14(17)15(18)11(7)12(10)13/h4-6,17H,1-3H3
InChIKey: GSWNGVOZZZCECM-UHFFFAOYSA-N
Reference
Sesquiterpenes and Alkaloids from the Roots of <i>Alangium chinense</i>
PubChem CID: 136239438
LOTUS: LTS0202253
COCONUT: CNP0245203
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alangium chinense | Alangium | Cornaceae | Cornales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 239.274
TPSA？: 50.19
MolLogP？: 3.336940000000001
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Coxsackievirus | Coxsackievirus | IC50 | 20000.0 | nM | 10.1021/np4000747 |
| Homo sapiens | A2780 | Activity | nan | None | 10.1021/np4000747 |
| Homo sapiens | A549 | Activity | nan | None | 10.1021/np4000747 |
| Homo sapiens | Bel-7402 | Activity | nan | None | 10.1021/np4000747 |
| Homo sapiens | BGC-823 | Activity | nan | None | 10.1021/np4000747 |
| Homo sapiens | HCT-8 | Activity | nan | None | 10.1021/np4000747 |
| Rattus norvegicus | Liver microsomes | IC50 | 3900.0 | nM | 10.1021/np4000747 |