[(1S,4R,4aR,8aR)-4-hydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,5,8,8a-hexahydronaphthalen-1-yl] (E)-3-phenylprop-2-enoate
| Internal ID | 259e785c-a487-4790-a1e4-6fb52c6a7f61 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | [(1S,4R,4aR,8aR)-4-hydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,5,8,8a-hexahydronaphthalen-1-yl] (E)-3-phenylprop-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H32O3/c1-17(2)19-12-14-23(3)20(16-19)24(4,15-13-21(23)25)27-22(26)11-10-18-8-6-5-7-9-18/h5-12,17,20-21,25H,13-16H2,1-4H3/b11-10+/t20-,21-,23-,24+/m1/s1 |
| InChI Key | AMEXRSNEDWSVJH-OUGOUTLESA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C24H32O3 |
| Molecular Weight | 368.50 g/mol |
| Exact Mass | 368.23514488 g/mol |
| Topological Polar Surface Area (TPSA) | 46.50 Ų |
| XlogP | 5.10 |
| There are no found synonyms. |
![2D Structure of [(1S,4R,4aR,8aR)-4-hydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,5,8,8a-hexahydronaphthalen-1-yl] (E)-3-phenylprop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/3932b700-85c4-11ee-a96d-1b724ae99fb7.jpg "2D Structure of [(1S,4R,4aR,8aR)-4-hydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,5,8,8a-hexahydronaphthalen-1-yl] (E)-3-phenylprop-2-enoate")
| 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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 98.89% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.87% | 91.11% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 92.96% | 94.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.69% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.64% | 96.09% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 92.33% | 94.08% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 91.93% | 94.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.38% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.47% | 95.56% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.72% | 93.56% |
| CHEMBL5028 | O14672 | ADAM10 | 88.56% | 97.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.19% | 97.09% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.98% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.87% | 96.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.15% | 89.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.95% | 94.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.80% | 94.45% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.44% | 89.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.25% | 95.89% |
| PubChem | 163186374 |
| LOTUS | LTS0123470 |
| wikiData | Q104914581 |