4-hydroxy-2,7-dimethyl-3,4-dihydro-2H-naphthalen-1-one
| Internal ID | 5c6ad51d-5dce-4aeb-8b1d-477838125f4f |
| Taxonomy | Benzenoids > Tetralins |
| IUPAC Name | 4-hydroxy-2,7-dimethyl-3,4-dihydro-2H-naphthalen-1-one |
| SMILES (Canonical) | CC1CC(C2=C(C1=O)C=C(C=C2)C)O |
| SMILES (Isomeric) | CC1CC(C2=C(C1=O)C=C(C=C2)C)O |
| InChI | InChI=1S/C12H14O2/c1-7-3-4-9-10(5-7)12(14)8(2)6-11(9)13/h3-5,8,11,13H,6H2,1-2H3 |
| InChI Key | IRAXRGIABQUYCO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C12H14O2 |
| Molecular Weight | 190.24 g/mol |
| Exact Mass | 190.099379685 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.09% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.31% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.73% | 96.09% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.49% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.63% | 89.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.41% | 93.03% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.74% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.40% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.81% | 91.11% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 81.86% | 86.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.66% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.16% | 100.00% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.86% | 97.05% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.76% | 91.49% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.64% | 99.23% |
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.
| Pyrola rotundifolia |
| PubChem | 85670900 |
| LOTUS | LTS0110887 |
| wikiData | Q105118741 |