Semecarpifoline
AlkaPlorer ID: AK012978
Synonym: None
IUPAC Name: 4,7-dimethoxy-3-(methoxymethyl)-1H-quinolin-2-one
Structure
SMILES: COCC1=C(O)N=C2C=C(OC)C=CC2=C1OC
InChI: InChI=1S/C13H15NO4/c1-16-7-10-12(18-3)9-5-4-8(17-2)6-11(9)14-13(10)15/h4-6H,7H2,1-3H3,(H,14,15)
InChIKey: WBHOECNXRGZKAH-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Melicope semecarpifolia | Melicope | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 249.266
TPSA？: 60.81
MolLogP？: 2.104
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | NON-PROTEIN TARGET | Inhibition | 81.0 | % | 10.1021/np010122k |
| None | NON-PROTEIN TARGET | Inhibition | 82.7 | % | 10.1021/np010122k |
| None | NON-PROTEIN TARGET | Inhibition | 85.8 | % | 10.1021/np010122k |
| None | NON-PROTEIN TARGET | Inhibition | 88.8 | % | 10.1021/np010122k |