3S*,4R*-dihydroxy-4-(4′-methoxyphenyl)-3,4-dihydro-2(1H)-quinolinone
AlkaPlorer ID: AK018668
Synonym: '3R*,4R*-dihydroxy-4-(4′-methoxyphenyl)-3,4-dihydro-2(Lif)-quinolinone'
IUPAC Name: (3S,4R)-3,4-dihydroxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one
Structure
SMILES: COC1=CC=C([C@@]2(O)C3=CC=CC=C3NC(=O)[C@H]2O)C=C1
InChI: InChI=1S/C16H15NO4/c1-21-11-8-6-10(7-9-11)16(20)12-4-2-3-5-13(12)17-15(19)14(16)18/h2-9,14,18,20H,1H3,(H,17,19)/t14-,16-/m1/s1
InChIKey: VJLVPUFVTPJHDI-GDBMZVCRSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium janczewskii | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 285.29900000000004
TPSA？: 78.79
MolLogP？: 1.2440999999999998
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | Activity | 56.3 | % | 10.1021/np058018g |
| Homo sapiens | CAKI-1 | Activity | 80.3 | % | 10.1021/np058018g |
| Homo sapiens | DU-145 | Activity | 50.6 | % | 10.1021/np058018g |
| Homo sapiens | HT-29 | Activity | 58.8 | % | 10.1021/np058018g |
| Homo sapiens | K562 | Activity | 52.4 | % | 10.1021/np058018g |
| Homo sapiens | MDA-MB-231 | Activity | 52.9 | % | 10.1021/np058018g |
| Homo sapiens | SK-MEL-2 | Activity | 55.2 | % | 10.1021/np058018g |
| Homo sapiens | SK-OV-3 | Activity | 44.6 | % | 10.1021/np058018g |