7-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2-hydroxy-1,4b,7,10a-tetramethyl-4,4a,5,6,8,8a,9,10-octahydrophenanthren-3-one
| Internal ID | f336ce71-3c52-4530-bff1-c0aae1ca6f20 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Colensane and clerodane diterpenoids |
| IUPAC Name | 7-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxy-1,4b,7,10a-tetramethyl-4,4a,5,6,8,8a,9,10-octahydrophenanthren-3-one |
| SMILES (Canonical) | CC1=C(C(=O)CC2C1(CCC3C2(CCC(C3)(C)C4COC(O4)(C)C)C)C)O |
| SMILES (Isomeric) | CC1=C(C(=O)CC2C1(CCC3C2(CCC(C3)(C)C4COC(O4)(C)C)C)C)O |
| InChI | InChI=1S/C23H36O4/c1-14-19(25)16(24)11-17-22(14,5)8-7-15-12-21(4,9-10-23(15,17)6)18-13-26-20(2,3)27-18/h15,17-18,25H,7-13H2,1-6H3 |
| InChI Key | GFZYQMFUZFAJJA-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H36O4 |
| Molecular Weight | 376.50 g/mol |
| Exact Mass | 376.26135963 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 4.60 |
| 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 | 97.31% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.41% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.29% | 85.14% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 89.21% | 95.38% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.90% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.21% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.45% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.16% | 97.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.66% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.15% | 95.56% |
| CHEMBL236 | P41143 | Delta opioid receptor | 84.56% | 99.35% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.17% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.06% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.57% | 98.95% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.79% | 97.14% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.54% | 82.69% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.73% | 89.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.54% | 92.94% |
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.
| Endospermum diadenum |
| PubChem | 163027719 |
| LOTUS | LTS0259159 |
| wikiData | Q105007931 |