(5S,8aR)-3-acetyl-5-hydroxy-5,8a-dimethyl-4a,6,7,8-tetrahydro-4H-naphthalen-1-one
| Internal ID | cde5857c-8f76-4bb4-9fa8-e7e56dadf321 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones > Cyclohexenones |
| IUPAC Name | (5S,8aR)-3-acetyl-5-hydroxy-5,8a-dimethyl-4a,6,7,8-tetrahydro-4H-naphthalen-1-one |
| SMILES (Canonical) | CC(=O)C1=CC(=O)C2(CCCC(C2C1)(C)O)C |
| SMILES (Isomeric) | CC(=O)C1=CC(=O)[C@@]2(CCC[C@](C2C1)(C)O)C |
| InChI | InChI=1S/C14H20O3/c1-9(15)10-7-11-13(2,12(16)8-10)5-4-6-14(11,3)17/h8,11,17H,4-7H2,1-3H3/t11?,13-,14+/m1/s1 |
| InChI Key | PWULEKRDNJYHCH-WLPIGLKUSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H20O3 |
| Molecular Weight | 236.31 g/mol |
| Exact Mass | 236.14124450 g/mol |
| Topological Polar Surface Area (TPSA) | 54.40 Ų |
| XlogP | 1.00 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.60% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.41% | 98.95% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 91.06% | 82.69% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.67% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.27% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.14% | 99.23% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 85.72% | 85.30% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.59% | 94.75% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.52% | 100.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.60% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.24% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.08% | 95.56% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.01% | 93.04% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.40% | 92.94% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.37% | 91.19% |
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.
| Teucrium heterophyllum |
| PubChem | 15767782 |
| LOTUS | LTS0210031 |
| wikiData | Q105215997 |