(1R,3R,4aS,7R,8aR)-1,4a-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalene-1,3-diol
| Internal ID | 114c0b7c-96a3-4b4c-b23a-60b0aa2b0fdb |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids |
| IUPAC Name | (1R,3R,4aS,7R,8aR)-1,4a-dimethyl-7-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalene-1,3-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H26O2/c1-10(2)11-5-6-14(3)8-12(16)9-15(4,17)13(14)7-11/h11-13,16-17H,1,5-9H2,2-4H3/t11-,12-,13-,14+,15-/m1/s1 |
| InChI Key | BIIOUOJJWZXURZ-ARILJUKYSA-N |
| Popularity | 2 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 | 3.30 |
| 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 | 96.17% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.42% | 96.09% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 91.73% | 82.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.43% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.24% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.64% | 90.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.78% | 100.00% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 86.85% | 95.38% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.56% | 92.94% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.31% | 96.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.65% | 95.89% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 81.46% | 98.10% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 80.80% | 97.79% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 80.63% | 96.61% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 80.15% | 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.
| Stachys chinensis |
| PubChem | 162979932 |
| LOTUS | LTS0217953 |
| wikiData | Q104936519 |