5,6,7-trimethoxy-1-(4-methoxybenzoyl)isoquinoline
AlkaPlorer ID: AK180665
Synonym: None
IUPAC Name: (4-methoxyphenyl)-(5,6,7-trimethoxyisoquinolin-1-yl)methanone
Structure
SMILES: COC1=CC=C(C(=O)C2=NC=CC3=C(OC)C(OC)=C(OC)C=C23)C=C1
InChI: InChI=1S/C20H19NO5/c1-23-13-7-5-12(6-8-13)18(22)17-15-11-16(24-2)20(26-4)19(25-3)14(15)9-10-21-17/h5-11H,1-4H3
InChIKey: XQBHRWCIOAUHCK-UHFFFAOYSA-N
Reference
PubChem CID: 158703
CAS: 84716-73-4
LOTUS: LTS0225422
SuperNatural Ⅲ: SN0436960
COCONUT: CNP0166475
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Thalictrum minus | Thalictrum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 353.3740000000001
TPSA？: 66.88000000000001
MolLogP？: 3.500200000000002
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bos taurus | Bos taurus | IC50 | 40000.0 | nM | 10.1021/jm00090a021 |
| Homo sapiens | A549 | ED50 | 25.0 | uM | 10.1021/jm00090a021 |
| Homo sapiens | HeLa | EC50 | 80000.0 | nM | 10.1016/j.ejmech.2019.111865 |
| Homo sapiens | HT-29 | ED50 | 25.0 | uM | 10.1021/jm00090a021 |
| Homo sapiens | MCF7 | ED50 | 25.0 | uM | 10.1021/jm00090a021 |
| Homo sapiens | SK-MEL-5 | ED50 | 25.0 | uM | 10.1021/jm00090a021 |
| None | MLM | ED50 | 25.0 | uM | 10.1021/jm00090a021 |