(3S,4aR,5R,6R,8aS)-6-hydroxy-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one
| Internal ID | 24a2dd04-f898-499f-9bc6-76b96d5d3c06 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids |
| IUPAC Name | (3S,4aR,5R,6R,8aS)-6-hydroxy-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one |
| SMILES (Canonical) | CC1C(CCC2C1(CC(CC2=O)C(=C)C)C)O |
| SMILES (Isomeric) | C[C@H]1[C@@H](CC[C@H]2[C@@]1(C[C@@H](CC2=O)C(=C)C)C)O |
| InChI | InChI=1S/C15H24O2/c1-9(2)11-7-14(17)12-5-6-13(16)10(3)15(12,4)8-11/h10-13,16H,1,5-8H2,2-4H3/t10-,11+,12+,13+,15+/m0/s1 |
| InChI Key | LKBQARGGDFBGFF-KMCWBVRRSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H24O2 |
| Molecular Weight | 236.35 g/mol |
| Exact Mass | 236.177630004 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 3.10 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.94% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.27% | 85.14% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 91.47% | 91.49% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.99% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.10% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.81% | 98.95% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 89.37% | 97.05% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.68% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.98% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.23% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.03% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.87% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.72% | 89.00% |
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.
| Senecio glutinosus |
| PubChem | 15627958 |
| LOTUS | LTS0223843 |
| wikiData | Q105152956 |