(4aS,5S,8aR)-4a-hydroxy-5,8a-dimethyl-3-propan-2-yl-5,6,7,8-tetrahydro-1H-naphthalen-2-one
| Internal ID | d270bef3-dfc2-400f-b4c6-3e7c9fa3a502 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids |
| IUPAC Name | (4aS,5S,8aR)-4a-hydroxy-5,8a-dimethyl-3-propan-2-yl-5,6,7,8-tetrahydro-1H-naphthalen-2-one |
| SMILES (Canonical) | CC1CCCC2(C1(C=C(C(=O)C2)C(C)C)O)C |
| SMILES (Isomeric) | C[C@H]1CCC[C@]2([C@]1(C=C(C(=O)C2)C(C)C)O)C |
| InChI | InChI=1S/C15H24O2/c1-10(2)12-8-15(17)11(3)6-5-7-14(15,4)9-13(12)16/h8,10-11,17H,5-7,9H2,1-4H3/t11-,14+,15+/m0/s1 |
| InChI Key | CRUIAACAZODGLK-NILFDRSVSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H24O2 |
| Molecular Weight | 236.35 g/mol |
| Exact Mass | 236.177630004 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 2.90 |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.01% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.87% | 98.95% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 91.37% | 93.04% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.91% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.95% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.40% | 95.56% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 88.78% | 82.69% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 88.39% | 96.77% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.05% | 90.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.07% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.35% | 97.09% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.30% | 93.03% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.56% | 95.89% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.50% | 93.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.44% | 100.00% |
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.
| There are no matching plants. |
| PubChem | 162922425 |
| LOTUS | LTS0042258 |
| wikiData | Q104968901 |