[(1R,2R,3S,5S,7R,8S,11R,12S,14E,17R)-5,8,11,15-tetramethyl-4-oxo-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadec-14-en-12-yl] octanoate
| Internal ID | 09f8cf5f-ac3f-4682-bfd8-eee8d7534c0f |
| Taxonomy | Organoheterocyclic compounds > Oxepanes |
| IUPAC Name | [(1R,2R,3S,5S,7R,8S,11R,12S,14E,17R)-5,8,11,15-tetramethyl-4-oxo-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadec-14-en-12-yl] octanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H44O5/c1-6-7-8-9-10-11-23(29)33-22-13-12-17(2)14-21-25-24-20(15-18(3)26(25)30)19(4)16-31-28(22,5)27(24)32-21/h12,18-22,24-25,27H,6-11,13-16H2,1-5H3/b17-12+/t18-,19+,20+,21+,22-,24+,25+,27+,28+/m0/s1 |
| InChI Key | DYSXWOGOOCJDGH-RKOPLIOVSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C28H44O5 |
| Molecular Weight | 460.60 g/mol |
| Exact Mass | 460.31887450 g/mol |
| Topological Polar Surface Area (TPSA) | 61.80 Ų |
| XlogP | 5.60 |
| There are no found synonyms. |
![2D Structure of [(1R,2R,3S,5S,7R,8S,11R,12S,14E,17R)-5,8,11,15-tetramethyl-4-oxo-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadec-14-en-12-yl] octanoate](https://plantaedb.com/storage/docs/compounds/2023/11/01189f60-8641-11ee-8ca8-075e49453f1a.jpg "2D Structure of [(1R,2R,3S,5S,7R,8S,11R,12S,14E,17R)-5,8,11,15-tetramethyl-4-oxo-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadec-14-en-12-yl] octanoate")
| 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 | 98.92% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.56% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.52% | 97.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.13% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.62% | 99.17% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 94.10% | 98.03% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 94.06% | 89.63% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.01% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.67% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.57% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.18% | 95.56% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 89.83% | 97.79% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.53% | 96.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.48% | 89.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 88.78% | 97.21% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.58% | 99.23% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.39% | 93.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.53% | 91.19% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.19% | 94.73% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.39% | 100.00% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 84.31% | 86.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.20% | 92.50% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.46% | 95.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.83% | 100.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.64% | 100.00% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 80.63% | 92.86% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.51% | 90.17% |
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.
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| There are no matching plants. |
| PubChem | 162971437 |
| LOTUS | LTS0071341 |
| wikiData | Q104991555 |