2-[(2R,4aR,8S,8aS)-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]propan-2-ol
| Internal ID | 13da2f75-5179-4386-b5fd-375ec75b26e6 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids |
| IUPAC Name | 2-[(2R,4aR,8S,8aS)-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]propan-2-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H28O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h11-13,16H,5-10H2,1-4H3/t11-,12+,13-,15+/m0/s1 |
| InChI Key | YJHVMPKSUPGGPZ-SFDCQRBFSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C15H28O |
| Molecular Weight | 224.38 g/mol |
| Exact Mass | 224.214015512 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of 2-[(2R,4aR,8S,8aS)-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]propan-2-ol](https://plantaedb.com/storage/docs/compounds/2023/11/2-2r4ar8s8as-4a8-dimethyl-23456788a-octahydro-1h-naphthalen-2-ylpropan-2-ol.jpg "2D Structure of 2-[(2R,4aR,8S,8aS)-4a,8-dimethyl-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 | 99.48% | 97.25% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 91.58% | 97.79% |
| CHEMBL1871 | P10275 | Androgen Receptor | 90.97% | 96.43% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.06% | 97.09% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 88.94% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.17% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.97% | 92.94% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 87.88% | 95.58% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.07% | 91.11% |
| CHEMBL3045 | P05771 | Protein kinase C beta | 85.07% | 97.63% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.51% | 93.04% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 83.23% | 96.61% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 83.00% | 97.05% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.75% | 100.00% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 82.22% | 97.64% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 82.00% | 98.10% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.70% | 91.03% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.33% | 82.69% |
| CHEMBL3920 | Q04759 | Protein kinase C theta | 81.31% | 97.69% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.60% | 95.50% |
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.
| Microbiota decussata |
| PubChem | 13179972 |
| LOTUS | LTS0097322 |
| wikiData | Q105349270 |