(2S)-2-[(2R,4aR,8aS)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propane-1,2-diol
| Internal ID | 8221f08d-fbf0-41f6-9cbb-5d70827046af |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids |
| IUPAC Name | (2S)-2-[(2R,4aR,8aS)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propane-1,2-diol |
| SMILES (Canonical) | CC12CCCC(=C)C1CC(CC2)C(C)(CO)O |
| SMILES (Isomeric) | C[C@]12CCCC(=C)[C@@H]1C[C@@H](CC2)[C@@](C)(CO)O |
| InChI | InChI=1S/C15H26O2/c1-11-5-4-7-14(2)8-6-12(9-13(11)14)15(3,17)10-16/h12-13,16-17H,1,4-10H2,2-3H3/t12-,13+,14-,15-/m1/s1 |
| InChI Key | FUUSVPZQXDAJBK-LXTVHRRPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H26O2 |
| Molecular Weight | 238.37 g/mol |
| Exact Mass | 238.193280068 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of (2S)-2-[(2R,4aR,8aS)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propane-1,2-diol](https://plantaedb.com/storage/docs/compounds/2023/11/336996e0-8646-11ee-bbfe-2978a6343cd5.jpg "2D Structure of (2S)-2-[(2R,4aR,8aS)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propane-1,2-diol")
| 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 | 99.64% | 97.25% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 95.65% | 97.79% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 93.83% | 99.43% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.02% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.02% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.57% | 91.11% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 90.86% | 98.10% |
| CHEMBL1871 | P10275 | Androgen Receptor | 87.92% | 96.43% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 87.67% | 100.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 86.44% | 95.93% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.91% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.48% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.84% | 95.89% |
| CHEMBL233 | P35372 | Mu opioid receptor | 82.71% | 97.93% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.55% | 91.03% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.14% | 98.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.81% | 92.62% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.58% | 95.50% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.22% | 100.00% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 80.30% | 97.64% |
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.
| Chamaecyparis obtusa |
| Flourensia heterolepis |
| PubChem | 26471784 |
| LOTUS | LTS0148953 |
| wikiData | Q105002069 |