6-[(5-acetyl-2H-1,3-benzodioxol-4-yl)methyl]-2H-[1,3]dioxolo[4,5-g]isoquinolin-5-one
AlkaPlorer ID: AK083428
Synonym: None
IUPAC Name: 6-[(5-acetyl-1,3-benzodioxol-4-yl)methyl]-[1,3]dioxolo[4,5-g]isoquinolin-5-one
Structure
SMILES: CC(=O)C1=CC=C2OCOC2=C1CN1C=CC2=CC3=C(C=C2C1=O)OCO3
InChI: InChI=1S/C20H15NO6/c1-11(22)13-2-3-16-19(27-10-24-16)15(13)8-21-5-4-12-6-17-18(26-9-25-17)7-14(12)20(21)23/h2-7H,8-10H2,1H3
InChIKey: OYCDIRUGACCROL-UHFFFAOYSA-N
Reference
Flavonoid glycosides and isoquinolinone alkaloids from Corydalis bungeana
PubChem CID: 12997611
LOTUS: LTS0064827
SuperNatural Ⅲ: SN0278267
COCONUT: CNP0302432
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Corydalis bungeana | Corydalis | Papaveraceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 365.3410000000001
TPSA？: 75.99000000000001
MolLogP？: 2.7098000000000013
Number of H-Donors: 0
Number of H-Acceptors: 7
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | GES1 | IC50 | 137300.0 | nM | 10.1016/j.bmc.2022.116705 |
| Homo sapiens | HGC-27 | IC50 | 53800.0 | nM | 10.1016/j.bmc.2022.116705 |
| Homo sapiens | MGC-803 | IC50 | 79900.0 | nM | 10.1016/j.bmc.2022.116705 |