[(1S,2S,3R,4R,5R,7S,8R,11S,12R,14E,17S)-12-hydroxy-5,8,11,15-tetramethyl-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadec-14-en-4-yl] butanoate
| Internal ID | 897089f2-a8b4-41b3-871f-a57c849f62df |
| Taxonomy | Organoheterocyclic compounds > Oxepanes |
| IUPAC Name | [(1S,2S,3R,4R,5R,7S,8R,11S,12R,14E,17S)-12-hydroxy-5,8,11,15-tetramethyl-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadec-14-en-4-yl] butanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H38O5/c1-6-7-19(26)29-22-14(3)11-16-15(4)12-27-24(5)18(25)9-8-13(2)10-17-21(22)20(16)23(24)28-17/h8,14-18,20-23,25H,6-7,9-12H2,1-5H3/b13-8+/t14-,15+,16+,17+,18-,20+,21+,22-,23+,24+/m1/s1 |
| InChI Key | ASYFQGFROIAMPM-AVXLIDPGSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C24H38O5 |
| Molecular Weight | 406.60 g/mol |
| Exact Mass | 406.27192431 g/mol |
| Topological Polar Surface Area (TPSA) | 65.00 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of [(1S,2S,3R,4R,5R,7S,8R,11S,12R,14E,17S)-12-hydroxy-5,8,11,15-tetramethyl-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadec-14-en-4-yl] butanoate](https://plantaedb.com/storage/docs/compounds/2023/11/8f9162f0-85b3-11ee-b75a-8b32cbbf7c78.jpg "2D Structure of [(1S,2S,3R,4R,5R,7S,8R,11S,12R,14E,17S)-12-hydroxy-5,8,11,15-tetramethyl-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadec-14-en-4-yl] butanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.75% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.03% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.76% | 91.11% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 95.25% | 97.21% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 95.10% | 96.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.58% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.70% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.24% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.47% | 98.95% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.43% | 93.56% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 86.90% | 96.61% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.03% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.99% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.93% | 94.73% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.47% | 92.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.06% | 91.19% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.77% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.52% | 99.23% |
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 | 23425370 |
| LOTUS | LTS0080351 |
| wikiData | Q104918184 |