5-Benzoyl-9-O-demethylaaptamine
AlkaPlorer ID: AK117275
Synonym: (9-Hydroxy-8-methoxy-1H-benzo[de][1,6]naphthyridin-5-yl)phenylmethanone
IUPAC Name: 7-[hydroxy(phenyl)methylidene]-11-methoxy-2,6-diazatricyclo[7.3.1.05,13]trideca-1,3,5(13),8,10-pentaen-12-one
Structure
SMILES: COC1=CC2=CC(C(=O)C3=CC=CC=C3)=NC3=C2C(=C1O)NC=C3
InChI: InChI=1S/C19H14N2O3/c1-24-15-10-12-9-14(18(22)11-5-3-2-4-6-11)21-13-7-8-20-17(16(12)13)19(15)23/h2-10,20,23H,1H3
InChIKey: DKIUYQSXDHVEST-UHFFFAOYSA-N
Reference
COCONUT: CNP0116747
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aaptos suberitoides | Aaptos | Suberitidae | Suberitida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 318.332
TPSA？: 71.45
MolLogP？: 3.576200000000002
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | L5178Y | GI | 93.7 | % | 10.1021/np300794b |
| Mus musculus | L5178Y | IC50 | 5500.0 | nM | 10.1021/np300794b |