6,7-dihydroxy-3,4-dihydro-2H-isoquinolin-1-one
| Internal ID | fac0e3ee-6633-4dc6-ba36-9e511ea557cc |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Isoquinolones and derivatives |
| IUPAC Name | 6,7-dihydroxy-3,4-dihydro-2H-isoquinolin-1-one |
| SMILES (Canonical) | C1CNC(=O)C2=CC(=C(C=C21)O)O |
| SMILES (Isomeric) | C1CNC(=O)C2=CC(=C(C=C21)O)O |
| InChI | InChI=1S/C9H9NO3/c11-7-3-5-1-2-10-9(13)6(5)4-8(7)12/h3-4,11-12H,1-2H2,(H,10,13) |
| InChI Key | CSYZCWLVFOWQRK-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C9H9NO3 |
| Molecular Weight | 179.17 g/mol |
| Exact Mass | 179.058243149 g/mol |
| Topological Polar Surface Area (TPSA) | 69.60 Ų |
| XlogP | 0.50 |
| 6,7-dihydroxy-3,4-dihydro-2H-isoquinolin-1-one |
| 6,7-DIHYDROXY-3,4-DIHYDROISOQUINOLIN-1(2H)-ONE |
| CHEMBL4289136 |
| SCHEMBL24136646 |
| DTXSID80452523 |
| 6,7-DIHYDROXY-1,2,3,4-TETRAHYDROISOQUINOLIN-1-ONE |
| AKOS006293187 |
| AB19142 |
| 3,4,5-TRIMETHOXYPHENYLMETHYLCARBINOL |
| FT-0737674 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.50% | 91.11% |
| CHEMBL2208 | P49137 | MAP kinase-activated protein kinase 2 | 97.69% | 95.20% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.84% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.76% | 98.95% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 88.33% | 95.64% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 88.18% | 93.03% |
| CHEMBL262 | P49841 | Glycogen synthase kinase-3 beta | 88.10% | 95.72% |
| CHEMBL5443 | O00311 | Cell division cycle 7-related protein kinase | 87.05% | 96.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.81% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.35% | 89.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.54% | 93.40% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.07% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.17% | 90.71% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.03% | 93.04% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.98% | 92.94% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.80% | 93.99% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.51% | 95.56% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Aniseia luxurians |
| Salsola collina |
| PubChem | 11030394 |
| LOTUS | LTS0247104 |
| wikiData | Q82273214 |