(2R,4aR,5R,8aR)-1,1,4a,6-tetramethyl-5-(phenoxymethyl)-2,3,4,5,8,8a-hexahydronaphthalen-2-ol
| Internal ID | 99772fba-5808-4588-a0c4-039624e1e099 |
| Taxonomy | Benzenoids > Phenol ethers |
| IUPAC Name | (2R,4aR,5R,8aR)-1,1,4a,6-tetramethyl-5-(phenoxymethyl)-2,3,4,5,8,8a-hexahydronaphthalen-2-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H30O2/c1-15-10-11-18-20(2,3)19(22)12-13-21(18,4)17(15)14-23-16-8-6-5-7-9-16/h5-10,17-19,22H,11-14H2,1-4H3/t17-,18+,19-,21+/m1/s1 |
| InChI Key | XNTVDVXTGHDVAF-HDAAZOAOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H30O2 |
| Molecular Weight | 314.50 g/mol |
| Exact Mass | 314.224580195 g/mol |
| Topological Polar Surface Area (TPSA) | 29.50 Ų |
| XlogP | 4.70 |
| 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 |
|---|---|---|---|---|
| CHEMBL240 | Q12809 | HERG | 98.11% | 89.76% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 97.01% | 90.17% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 96.63% | 94.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.67% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.44% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.86% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.26% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.02% | 86.33% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 85.88% | 92.67% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.43% | 98.95% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 84.22% | 94.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.11% | 95.89% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.13% | 82.69% |
| CHEMBL5028 | O14672 | ADAM10 | 81.15% | 97.50% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.90% | 94.00% |
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.
| Brocchia cinerea |
| PubChem | 162817306 |
| LOTUS | LTS0212187 |
| wikiData | Q105331958 |