2alpha-Hydroxyjatropholone
| Internal ID | 08cb5311-ccce-4ba9-9e9a-0b6baa4afaea |
| Taxonomy | Benzenoids > Indanes > Indanones |
| IUPAC Name | (4R,10S,12R)-4,7-dihydroxy-4,8,11,11-tetramethyl-15-methylidenetetracyclo[7.6.0.02,6.010,12]pentadeca-1,6,8-trien-3-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H24O3/c1-9-6-7-12-16(19(12,3)4)14-10(2)17(21)11-8-20(5,23)18(22)15(11)13(9)14/h12,16,21,23H,1,6-8H2,2-5H3/t12-,16-,20-/m1/s1 |
| InChI Key | GXKSQESISBERSQ-CBLJQSSYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C20H24O3 |
| Molecular Weight | 312.40 g/mol |
| Exact Mass | 312.17254462 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 3.60 |
| (4R,10S,12R)-4,7-dihydroxy-4,8,11,11-tetramethyl-15-methylidenetetracyclo[7.6.0.02,6.010,12]pentadeca-1,6,8-trien-3-one |
| RefChem:90041 |
| 2alpha-hydroxyjatropholone |
| 1192839-16-9 |
| CHEMBL1087936 |
| 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 | 97.51% | 91.11% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 92.39% | 96.38% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.37% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.97% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.85% | 95.89% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 88.99% | 91.79% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.37% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.24% | 100.00% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 87.78% | 93.18% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.58% | 96.09% |
| CHEMBL1871 | P10275 | Androgen Receptor | 84.65% | 96.43% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.54% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.09% | 94.45% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 84.01% | 96.21% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.75% | 93.03% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 82.04% | 96.12% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.82% | 90.71% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.52% | 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.
| Jatropha integerrima |
| PubChem | 44604948 |
| LOTUS | LTS0235334 |
| wikiData | Q105023156 |