[(1R,2R,3S,4S,5S,7R,8S,11R,12S,14E,17R)-12-acetyloxy-5,8,11,15-tetramethyl-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadec-14-en-4-yl] octanoate
| Internal ID | 2c235b04-f8ae-4a89-8468-60f984a6db95 |
| Taxonomy | Organoheterocyclic compounds > Oxepanes |
| IUPAC Name | [(1R,2R,3S,4S,5S,7R,8S,11R,12S,14E,17R)-12-acetyloxy-5,8,11,15-tetramethyl-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadec-14-en-4-yl] octanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C30H48O6/c1-7-8-9-10-11-12-25(32)36-28-19(3)16-22-20(4)17-33-30(6)24(34-21(5)31)14-13-18(2)15-23-27(28)26(22)29(30)35-23/h13,19-20,22-24,26-29H,7-12,14-17H2,1-6H3/b18-13+/t19-,20+,22+,23+,24-,26+,27+,28-,29+,30+/m0/s1 |
| InChI Key | PDBXHZDRJSYWRL-XVABZPRCSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C30H48O6 |
| Molecular Weight | 504.70 g/mol |
| Exact Mass | 504.34508925 g/mol |
| Topological Polar Surface Area (TPSA) | 71.10 Ų |
| XlogP | 6.30 |
| There are no found synonyms. |
![2D Structure of [(1R,2R,3S,4S,5S,7R,8S,11R,12S,14E,17R)-12-acetyloxy-5,8,11,15-tetramethyl-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadec-14-en-4-yl] octanoate](https://plantaedb.com/storage/docs/compounds/2023/11/bed2e0c0-8705-11ee-9feb-916ddae9352d.jpg "2D Structure of [(1R,2R,3S,4S,5S,7R,8S,11R,12S,14E,17R)-12-acetyloxy-5,8,11,15-tetramethyl-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadec-14-en-4-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 | 99.18% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.48% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.46% | 97.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.74% | 86.33% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 93.65% | 89.63% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 93.03% | 96.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.02% | 99.17% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 92.71% | 97.21% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.20% | 98.95% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.87% | 93.56% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 90.64% | 92.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.75% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.57% | 97.09% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 87.45% | 92.86% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 87.38% | 91.24% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 87.11% | 97.79% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 87.02% | 98.03% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.71% | 94.73% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.70% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.31% | 91.19% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.31% | 89.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.98% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.89% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.73% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.46% | 95.56% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 81.11% | 89.05% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.36% | 95.89% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.21% | 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.
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| There are no matching plants. |
| PubChem | 162908805 |
| LOTUS | LTS0123080 |
| wikiData | Q105206303 |