Achaetolide-II
| Internal ID | 0cf13758-120a-494d-a176-e9ce2bc7a016 |
| Taxonomy | Organoheterocyclic compounds > Oxocins |
| IUPAC Name | [(2R,4S,5R,6E,8S)-2-heptyl-4,5-dihydroxy-10-oxo-2,3,4,5,8,9-hexahydrooxecin-8-yl] (2S,3S)-3-hydroxy-2-methylbutanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H36O7/c1-4-5-6-7-8-9-16-12-19(24)18(23)11-10-17(13-20(25)27-16)28-21(26)14(2)15(3)22/h10-11,14-19,22-24H,4-9,12-13H2,1-3H3/b11-10+/t14-,15-,16+,17+,18+,19-/m0/s1 |
| InChI Key | FJSKPUJMHNGLPY-CBIPHORWSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H36O7 |
| Molecular Weight | 400.50 g/mol |
| Exact Mass | 400.24610348 g/mol |
| Topological Polar Surface Area (TPSA) | 113.00 Ų |
| XlogP | 3.00 |
| 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 | 98.16% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.57% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.04% | 97.25% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 96.36% | 89.63% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 96.10% | 97.79% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 94.16% | 98.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.93% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.84% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.23% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.90% | 93.56% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 85.26% | 97.29% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 84.52% | 85.94% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.38% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.29% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.83% | 99.23% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.61% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.25% | 86.33% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 82.84% | 90.08% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.75% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.00% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.34% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.04% | 90.71% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 80.14% | 96.00% |
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 | 139585979 |
| LOTUS | LTS0196238 |
| wikiData | Q77496156 |