Marcanin A
AlkaPlorer ID: AK021793
Synonym: None
IUPAC Name: 4-methyl-1H-benzo[g]quinoline-2,5,10-trione
Structure
SMILES: CC1=CC(O)=NC2=C1C(=O)C1=CC=CC=C1C2=O
InChI: InChI=1S/C14H9NO3/c1-7-6-10(16)15-12-11(7)13(17)8-4-2-3-5-9(8)14(12)18/h2-6H,1H3,(H,15,16)
InChIKey: GYAHTYNHCVTZOK-UHFFFAOYSA-N
Reference
PubChem CID: 10105653
CAS: 157463-84-8
LOTUS: LTS0223933
COCONUT: CNP0174586
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Goniothalamus griffithii | Goniothalamus | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 239.23
TPSA？: 67.26
MolLogP？: 1.87102
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | ED50 | 0.42 | uM | 10.1021/np990197c |
| Homo sapiens | Bel-7402 | IC50 | 9540.0 | nM | 10.1016/j.ejmech.2019.01.028 |
| Homo sapiens | HT-29 | ED50 | 0.42 | uM | 10.1021/np990197c |
| Homo sapiens | MCF7 | ED50 | 0.42 | uM | 10.1021/np990197c |
| Homo sapiens | U-251 | ED50 | 0.84 | uM | 10.1021/np990197c |
| Mus musculus | RAW264.7 | Inhibition | nan | % | 10.1016/j.bmc.2020.115462 |
| None | NON-PROTEIN TARGET | ED50 | 0.42 | uM | 10.1021/np990197c |
| None | Unchecked | IC50 | 186700.0 | nM | 10.1016/j.bmc.2020.115462 |