Emeridone C
| Internal ID | 347fe67f-ccf5-494b-afae-d76655655fb9 |
| Taxonomy | Organoheterocyclic compounds > Lactones > Gamma butyrolactones |
| IUPAC Name | (1S,4'aS,7S,8'S,8'aR,11R)-8'-methoxy-5',5',7,8'a,10-pentamethylspiro[3-oxatricyclo[5.3.2.01,5]dodeca-5,9-diene-11,2'-4,4a,7,8-tetrahydro-3H-naphthalene]-1',4,6',8-tetrone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H32O6/c1-14-9-18(28)23(4)11-15-20(29)32-13-26(14,15)25(12-23)8-7-16-22(2,3)17(27)10-19(31-6)24(16,5)21(25)30/h9,11,16,19H,7-8,10,12-13H2,1-6H3/t16-,19-,23+,24+,25-,26-/m0/s1 |
| InChI Key | VZASSQNBUMJUPF-BTEJXJDISA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C26H32O6 |
| Molecular Weight | 440.50 g/mol |
| Exact Mass | 440.21988874 g/mol |
| Topological Polar Surface Area (TPSA) | 86.70 Ų |
| XlogP | 2.10 |
| 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 |
|---|---|---|---|---|
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 95.52% | 94.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.82% | 97.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 93.04% | 89.63% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.85% | 98.95% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 91.78% | 82.69% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.74% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.39% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.51% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.79% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.77% | 94.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.51% | 97.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.37% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.95% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.76% | 86.33% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 81.93% | 82.38% |
| CHEMBL5028 | O14672 | ADAM10 | 80.52% | 97.50% |
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.
| There are no matching plants. |
| PubChem | 146682058 |
| LOTUS | LTS0132785 |
| wikiData | Q105299592 |