(2S,4aR,7S,8aR)-2-(2-hydroxypropan-2-yl)-4a-methyl-8-methylidene-3,4,5,6,7,8a-hexahydro-1H-naphthalene-2,7-diol
| Internal ID | 90dc5f62-f80d-44de-85ef-5b7df7300316 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids |
| IUPAC Name | (2S,4aR,7S,8aR)-2-(2-hydroxypropan-2-yl)-4a-methyl-8-methylidene-3,4,5,6,7,8a-hexahydro-1H-naphthalene-2,7-diol |
| SMILES (Canonical) | CC12CCC(C(=C)C1CC(CC2)(C(C)(C)O)O)O |
| SMILES (Isomeric) | C[C@]12CC[C@@H](C(=C)[C@@H]1C[C@@](CC2)(C(C)(C)O)O)O |
| InChI | InChI=1S/C15H26O3/c1-10-11-9-15(18,13(2,3)17)8-7-14(11,4)6-5-12(10)16/h11-12,16-18H,1,5-9H2,2-4H3/t11-,12-,14+,15-/m0/s1 |
| InChI Key | IVMFADZCHPAULC-VIRABCJISA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H26O3 |
| Molecular Weight | 254.36 g/mol |
| Exact Mass | 254.18819469 g/mol |
| Topological Polar Surface Area (TPSA) | 60.70 Ų |
| XlogP | 1.00 |
| 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 | 96.70% | 97.25% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.80% | 92.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.41% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.89% | 94.45% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 87.03% | 99.43% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.94% | 100.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 85.08% | 91.03% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 84.19% | 95.38% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.12% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.88% | 91.49% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.18% | 90.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.84% | 95.89% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 82.70% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.43% | 96.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.15% | 97.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.83% | 98.95% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.18% | 93.03% |
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.
| Achillea clypeolata |
| PubChem | 102274018 |
| LOTUS | LTS0213749 |
| wikiData | Q105121129 |