(5,8,11-Trimethyl-15-methylidene-12-oxo-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-4-yl) butanoate
| Internal ID | 8db62ea6-c101-448b-b1ae-0bcc4ed3258c |
| Taxonomy | Organoheterocyclic compounds > Oxepanes |
| IUPAC Name | (5,8,11-trimethyl-15-methylidene-12-oxo-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-4-yl) butanoate |
| SMILES (Canonical) | CCCC(=O)OC1C(CC2C(COC3(C4C2C1C(O4)CC(=C)CCC3=O)C)C)C |
| SMILES (Isomeric) | CCCC(=O)OC1C(CC2C(COC3(C4C2C1C(O4)CC(=C)CCC3=O)C)C)C |
| InChI | InChI=1S/C24H36O5/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/h14-17,20-23H,2,6-12H2,1,3-5H3 |
| InChI Key | ZVNPGFHUFODMEX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H36O5 |
| Molecular Weight | 404.50 g/mol |
| Exact Mass | 404.25627424 g/mol |
| Topological Polar Surface Area (TPSA) | 61.80 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of (5,8,11-Trimethyl-15-methylidene-12-oxo-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-4-yl) butanoate](https://plantaedb.com/storage/docs/compounds/2023/11/7e4ba3a0-85dd-11ee-b86b-3b122c1e30b8.jpg "2D Structure of (5,8,11-Trimethyl-15-methylidene-12-oxo-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.17% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.55% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.06% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.95% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.78% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.68% | 86.33% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 89.54% | 93.04% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.68% | 91.19% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.61% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.89% | 97.09% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 85.30% | 92.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.13% | 94.45% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 84.64% | 97.79% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.25% | 92.94% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.15% | 92.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.58% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.24% | 95.56% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 82.91% | 82.50% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 82.45% | 98.03% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.22% | 99.17% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 80.89% | 89.05% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.07% | 94.33% |
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 | 73826194 |
| LOTUS | LTS0126881 |
| wikiData | Q105384465 |