Emeridone D
| Internal ID | 7a11b3b9-43b1-4e44-8a45-5148baa945cc |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones > Cyclohexenones |
| IUPAC Name | (1R,4R,8S,9R,10S,11R,12S,14S,20R)-10-hydroxy-5,5,9,12,14-pentamethyl-18,22-dioxaheptacyclo[12.6.1.18,11.01,10.04,9.012,20.016,20]docos-15-ene-6,13,17-trione |
| SMILES (Canonical) | CC1(C2CCC34CC5(C=C6C3(COC6=O)C(C5=O)(C7C4(C2(C(O7)CC1=O)C)O)C)C)C |
| SMILES (Isomeric) | C[C@@]12C[C@@]34CC[C@@H]5[C@]6([C@@]3([C@@H]([C@@](C1=O)([C@]47COC(=O)C7=C2)C)O[C@H]6CC(=O)C5(C)C)O)C |
| InChI | InChI=1S/C25H30O6/c1-19(2)13-6-7-23-10-20(3)9-12-16(27)30-11-24(12,23)22(5,17(20)28)18-25(23,29)21(13,4)15(31-18)8-14(19)26/h9,13,15,18,29H,6-8,10-11H2,1-5H3/t13-,15-,18+,20+,21+,22+,23+,24+,25+/m0/s1 |
| InChI Key | MOOWJEGUHAWQEU-CXILKDTBSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C25H30O6 |
| Molecular Weight | 426.50 g/mol |
| Exact Mass | 426.20423867 g/mol |
| Topological Polar Surface Area (TPSA) | 89.90 Ų |
| XlogP | 1.60 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 95.42% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.51% | 91.11% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 94.04% | 89.63% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 93.04% | 82.69% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.73% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.19% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.96% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.74% | 100.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.08% | 94.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.69% | 93.04% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.18% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.15% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.18% | 97.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.21% | 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.
| There are no matching plants. |
| PubChem | 146682059 |
| LOTUS | LTS0131447 |
| wikiData | Q105169039 |