(1R,4aR,8aR)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol
| Internal ID | 311589f3-fc65-4c6e-986d-3ae213044264 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids |
| IUPAC Name | (1R,4aR,8aR)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-ol |
| SMILES (Canonical) | CC12CCCC(C1CC(CC2)C(C)(C)O)(C)O |
| SMILES (Isomeric) | C[C@]12CCC[C@@]([C@@H]1CC(CC2)C(C)(C)O)(C)O |
| InChI | InChI=1S/C15H28O2/c1-13(2,16)11-6-9-14(3)7-5-8-15(4,17)12(14)10-11/h11-12,16-17H,5-10H2,1-4H3/t11?,12-,14-,15-/m1/s1 |
| InChI Key | LKKDASYGWYYFIK-ZJPTYJIISA-N |
| Popularity | 6 references in papers |
| Molecular Formula | C15H28O2 |
| Molecular Weight | 240.38 g/mol |
| Exact Mass | 240.208930132 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 3.00 |
| CHEMBL1288770 |
| 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 | 99.19% | 97.25% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 94.53% | 97.79% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 92.25% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 90.57% | 82.69% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.18% | 92.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.05% | 97.09% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 87.57% | 95.69% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.19% | 94.75% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.16% | 91.11% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 85.55% | 93.04% |
| CHEMBL1871 | P10275 | Androgen Receptor | 84.72% | 96.43% |
| CHEMBL3920 | Q04759 | Protein kinase C theta | 84.30% | 97.69% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 83.43% | 95.58% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.79% | 100.00% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 82.34% | 98.99% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 81.46% | 95.38% |
| CHEMBL238 | Q01959 | Dopamine transporter | 81.31% | 95.88% |
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.
| Hedychium coronarium |
| PubChem | 52940854 |
| NPASS | NPC102336 |
| ChEMBL | CHEMBL1288770 |
| LOTUS | LTS0082954 |
| wikiData | Q105153091 |