3,4-Dihydro-7-hydroxy-1(2H)-isoquinolinone; Me ether
AlkaPlorer ID: AK295793
Synonym: 3,4-Dihydro-7-methoxy-1(2H)-isoquinolinone
IUPAC Name: 7-methoxy-3,4-dihydro-2H-isoquinolin-1-one
Structure
SMILES: COC1=CC=C2CCNC(=O)C2=C1
InChI: InChI=1S/C10H11NO2/c1-13-8-3-2-7-4-5-11-10(12)9(7)6-8/h2-3,6H,4-5H2,1H3,(H,11,12)
InChIKey: QBEYUVIGABSXEU-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Michelia | Magnoliaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 177.203
TPSA？: 38.33
MolLogP？: 0.9811
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Poly [ADP-ribose] polymerase-1 | IC50 | 100000.0 | nM | 10.1016/j.bmcl.2015.07.033 |
| Homo sapiens | Poly [ADP-ribose] polymerase 10 | IC50 | 100000.0 | nM | 10.1016/j.bmcl.2015.07.033 |
| Homo sapiens | Poly [ADP-ribose] polymerase 10 | IC50 | 169824.37 | nM | 10.1016/j.bmcl.2015.07.033 |
| Homo sapiens | Poly [ADP-ribose] polymerase 10 | IC50 | 172000.0 | nM | 10.1016/j.bmcl.2015.07.033 |
| Homo sapiens | Poly [ADP-ribose] polymerase 10 | Inhibition | nan | % | 10.1016/j.bmcl.2015.07.033 |