Marcanin B
AlkaPlorer ID: AK021801
Synonym: None
IUPAC Name: 3-methoxy-1,4-dimethylbenzo[g]quinoline-2,5,10-trione
Structure
SMILES: COC1=C(C)C2=C(C(=O)C3=CC=CC=C3C2=O)N(C)C1=O
InChI: InChI=1S/C16H13NO4/c1-8-11-12(17(2)16(20)15(8)21-3)14(19)10-7-5-4-6-9(10)13(11)18/h4-7H,1-3H3
InChIKey: HAOZFNOODAJKHH-UHFFFAOYSA-N
Reference
PubChem CID: 10265831
CAS: 249285-58-3
LOTUS: LTS0063963
SuperNatural Ⅲ: SN0120348
COCONUT: CNP0270605
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Goniothalamus marcanii | Goniothalamus | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 283.283
TPSA？: 65.37
MolLogP？: 1.4777199999999997
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | ED50 | 0.35 | uM | 10.1021/np990197c |
| Homo sapiens | HT-29 | ED50 | 2.12 | uM | 10.1021/np990197c |
| Homo sapiens | MCF7 | ED50 | 0.18 | uM | 10.1021/np990197c |
| Homo sapiens | U-251 | ED50 | 1.4 | uM | 10.1021/np990197c |
| None | NON-PROTEIN TARGET | ED50 | 0.7 | uM | 10.1021/np990197c |