(3R,4aS,6aR,10aS)-3-ethyl-5,10b-dimethyl-4,4a,6a,7,8,9,10,10a-octahydro-3H-benzo[h]isochromen-1-one
| Internal ID | 26ba3777-e51c-4eb4-a649-d1da3bc76fee |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans > Naphthopyranones |
| IUPAC Name | (3R,4aS,6aR,10aS)-3-ethyl-5,10b-dimethyl-4,4a,6a,7,8,9,10,10a-octahydro-3H-benzo[h]isochromen-1-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H26O2/c1-4-13-10-15-11(2)9-12-7-5-6-8-14(12)17(15,3)16(18)19-13/h9,12-15H,4-8,10H2,1-3H3/t12-,13-,14+,15+,17?/m1/s1 |
| InChI Key | DOVJKETUGTWKML-LADHJHLASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H26O2 |
| Molecular Weight | 262.40 g/mol |
| Exact Mass | 262.193280068 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
![2D Structure of (3R,4aS,6aR,10aS)-3-ethyl-5,10b-dimethyl-4,4a,6a,7,8,9,10,10a-octahydro-3H-benzo[h]isochromen-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/3r4as6ar10as-3-ethyl-510b-dimethyl-44a6a7891010a-octahydro-3h-benzohisochromen-1-one.jpg "2D Structure of (3R,4aS,6aR,10aS)-3-ethyl-5,10b-dimethyl-4,4a,6a,7,8,9,10,10a-octahydro-3H-benzo[h]isochromen-1-one")
| 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 |
|---|---|---|---|---|
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.15% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.77% | 97.25% |
| CHEMBL1871 | P10275 | Androgen Receptor | 91.88% | 96.43% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.19% | 94.73% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.52% | 100.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 85.75% | 93.04% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.27% | 95.56% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.28% | 92.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.46% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.41% | 98.95% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 83.16% | 94.80% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.61% | 96.09% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 82.29% | 91.76% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.70% | 86.33% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 81.28% | 86.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.15% | 91.11% |
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.
| There are no matching plants. |
| PubChem | 163193374 |
| LOTUS | LTS0042282 |
| wikiData | Q104986281 |