Phyto4Health

(6,7-Dimethoxyisoquinolin-1-Yl)-(3,4-Dimethoxyphenyl)Methanone

Representations & DB's id
ChEBI: None
ChEMBL: CHEMBL205040
PubChem: 96932
IUPAC: (6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methanone
Standard InChI: InChI=1S/C20H19NO5/c1-23-15-6-5-13(10-16(15)24-2)20(22)19-14-11-18(26-4)17(25-3)9-12(14)7-8-21-19/h5-11H,1-4H3
Standard InChI Key: QJTBIAMBPGGIGI-UHFFFAOYSA-N
SMILES: COc1ccc(cc1OC)C(=O)c1nccc2c1cc(OC)c(c2)OC

Molecular propeties
AlogP: 3.5
Hydrogen bonds acceptors: 6
Hydrogen bonds donors: 0
Rotatable bonds: 6
Number of rings: 3
Molecular Weight: 353.13
Topological polar surface area: 66.9
Number of aromatic rings: 3
Fsp3: 0.2
Number of carbons: 20

Plant sources

Part of plant Plant name Ref.
PlantPapaver somniferum
PlantPapaver somniferum
PlantPapaver somniferum

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Others38.6 %AcetylcholinesteraseP22303
Others2.3 %AcetylcholinesteraseP22303
IC5067047 nMSerine/threonine protein phosphatase PP1-alpha catalytic subunitP62136
IC5019597 nMSerine/threonine-protein phosphataseQ9BPW0
Potency39810.7 nMLethal(3)malignant brain tumor-like protein 1Q9Y468
IC505000 nMSentrin-specific protease 8Q96LD8
IC502470 nMSentrin-specific protease 8Q96LD8
IC501670 nMSentrin-specific protease 7Q9BQF6
IC50805 nMSentrin-specific protease 6Q9GZR1
Potency29081 nMATPase family AAA domain-containing protein 5Q96QE3
Potency100 nMAtaxin-2Q99700
Potency1778.3 nMGlucagon-like peptide 1 receptorP43220
Potency31622.8 nMGuanine nucleotide-binding protein G(s), subunit alphaP63092