2-[(2R,4aR,8aS)-4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]propan-2-ol
| Internal ID | 9a337f53-615b-47c7-8548-9a479a56b896 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Tertiary alcohols |
| IUPAC Name | 2-[(2R,4aR,8aS)-4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]propan-2-ol |
| SMILES (Canonical) | CC12CCCCC1CC(CC2)C(C)(C)O |
| SMILES (Isomeric) | C[C@]12CCCC[C@H]1C[C@@H](CC2)C(C)(C)O |
| InChI | InChI=1S/C14H26O/c1-13(2,15)11-7-9-14(3)8-5-4-6-12(14)10-11/h11-12,15H,4-10H2,1-3H3/t11-,12+,14-/m1/s1 |
| InChI Key | LFQGNVKBZIFOGJ-MBNYWOFBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H26O |
| Molecular Weight | 210.36 g/mol |
| Exact Mass | 210.198365449 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of 2-[(2R,4aR,8aS)-4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]propan-2-ol](https://plantaedb.com/storage/docs/compounds/2023/11/2-2r4ar8as-4a-methyl-23456788a-octahydro-1h-naphthalen-2-ylpropan-2-ol.jpg "2D Structure of 2-[(2R,4aR,8aS)-4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]propan-2-ol")
| 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 | 98.96% | 97.25% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 91.46% | 98.10% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.27% | 97.09% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 88.90% | 93.04% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.76% | 96.09% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 88.33% | 95.58% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 87.28% | 100.00% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 87.01% | 95.38% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.92% | 91.11% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 86.87% | 97.79% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 86.63% | 82.69% |
| CHEMBL1871 | P10275 | Androgen Receptor | 86.09% | 96.43% |
| CHEMBL238 | Q01959 | Dopamine transporter | 84.64% | 95.88% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.10% | 92.94% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 83.58% | 94.62% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 83.18% | 97.64% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 82.88% | 92.88% |
| CHEMBL4235 | P28845 | 11-beta-hydroxysteroid dehydrogenase 1 | 82.14% | 97.98% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.10% | 95.50% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 81.57% | 94.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.57% | 95.89% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 81.56% | 98.99% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.54% | 100.00% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.92% | 97.05% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 80.54% | 99.29% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.46% | 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.
| Calycanthus chinensis |
| PubChem | 162981184 |
| LOTUS | LTS0125787 |
| wikiData | Q105151122 |