Dielsiquinone
AlkaPlorer ID: AK016962
Synonym: None
IUPAC Name: 3-methoxy-4-methyl-1H-benzo[g]quinoline-2,5,10-trione
Structure
SMILES: COC1=C(C)C2=C(N=C1O)C(=O)C1=CC=CC=C1C2=O
InChI: InChI=1S/C15H11NO4/c1-7-10-11(16-15(19)14(7)20-2)13(18)9-6-4-3-5-8(9)12(10)17/h3-6H,1-2H3,(H,16,19)
InChIKey: AZTABGJRYQJTCL-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Guatteria blepharophylla | Guatteria | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 269.25600000000003
TPSA？: 76.49000000000001
MolLogP？: 1.87962
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | ED50 | 0.11 | uM | 10.1021/np990197c |
| Homo sapiens | HT-29 | ED50 | 1.12 | uM | 10.1021/np990197c |
| Homo sapiens | MCF7 | ED50 | 0.11 | uM | 10.1021/np990197c |
| Homo sapiens | U-251 | ED50 | 0.37 | uM | 10.1021/np990197c |
| None | NON-PROTEIN TARGET | ED50 | 0.11 | uM | 10.1021/np990197c |