None
AlkaPlorer ID: AK323179
Synonym: None
IUPAC Name: 9-(3-bromo-4,5-dimethoxyphenyl)-6,7,8-trimethoxy-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one
Structure
SMILES: COC1=CC(C2C3=C(COC3=O)NC3=CC(OC)=C(OC)C(OC)=C32)=CC(Br)=C1OC
InChI: InChI=1S/C22H22BrNO7/c1-26-14-7-10(6-11(23)19(14)28-3)16-17-12(24-13-9-31-22(25)18(13)16)8-15(27-2)20(29-4)21(17)30-5/h6-8,16,24H,9H2,1-5H3
InChIKey: JTRBNKGQMPVQSK-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Bridelia ferruginea | Bridelia | Phyllanthaceae | Malpighiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 492.3220000000002
TPSA？: 84.48000000000002
MolLogP？: 3.860400000000003
Number of H-Donors: 1
Number of H-Acceptors: 8
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | MCF7 | GI50 | 0.12 | ug.mL-1 | 10.1021/acs.jnatprod.5b00873 |
| Homo sapiens | NCI-H460 | GI50 | 0.35 | ug.mL-1 | 10.1021/acs.jnatprod.5b00873 |
| Mus musculus | P388 | ED50 | 0.11 | ug ml-1 | 10.1021/acs.jnatprod.5b00873 |
| None | NON-PROTEIN TARGET | GI50 | 0.11 | ug.mL-1 | 10.1021/acs.jnatprod.5b00873 |
| None | NON-PROTEIN TARGET | GI50 | 0.42 | ug.mL-1 | 10.1021/acs.jnatprod.5b00873 |
| None | NON-PROTEIN TARGET | GI50 | 0.56 | ug.mL-1 | 10.1021/acs.jnatprod.5b00873 |
| None | NON-PROTEIN TARGET | GI50 | nan | None | 10.1021/acs.jnatprod.5b00873 |