[(1S,2S,3S,4R,5R,7S,8S,11S,14R,15R,17S)-14-methoxy-5,8,11,15-tetramethyl-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-4-yl] acetate
| Internal ID | 65532f1d-a54f-44c4-b80b-7cbdf29c481c |
| Taxonomy | Organoheterocyclic compounds > Oxepanes |
| IUPAC Name | [(1S,2S,3S,4R,5R,7S,8S,11S,14R,15R,17S)-14-methoxy-5,8,11,15-tetramethyl-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-4-yl] acetate |
| SMILES (Canonical) | CC1CC2C(COC3(CCC(C(CC4C(C2C3O4)C1OC(=O)C)C)OC)C)C |
| SMILES (Isomeric) | C[C@@H]1C[C@H]2[C@@H](CO[C@]3(CC[C@H]([C@@H](C[C@H]4[C@H]([C@H]2[C@@H]3O4)[C@@H]1OC(=O)C)C)OC)C)C |
| InChI | InChI=1S/C23H38O5/c1-12-10-18-20-19-16(9-13(2)21(20)27-15(4)24)14(3)11-26-23(5,22(19)28-18)8-7-17(12)25-6/h12-14,16-22H,7-11H2,1-6H3/t12-,13-,14-,16+,17-,18+,19+,20-,21-,22+,23+/m1/s1 |
| InChI Key | MVCDLWCHVUYBCT-GIVMCAECSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H38O5 |
| Molecular Weight | 394.50 g/mol |
| Exact Mass | 394.27192431 g/mol |
| Topological Polar Surface Area (TPSA) | 54.00 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
![2D Structure of [(1S,2S,3S,4R,5R,7S,8S,11S,14R,15R,17S)-14-methoxy-5,8,11,15-tetramethyl-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-4-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/2cc18d40-873c-11ee-8d54-8b8e7a23d7b9.jpg "2D Structure of [(1S,2S,3S,4R,5R,7S,8S,11S,14R,15R,17S)-14-methoxy-5,8,11,15-tetramethyl-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-4-yl] acetate")
| 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 | 97.19% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.54% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.21% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 91.60% | 96.77% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.93% | 91.19% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 90.74% | 94.80% |
| CHEMBL204 | P00734 | Thrombin | 90.68% | 96.01% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.39% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.55% | 85.14% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.44% | 96.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.52% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.02% | 97.09% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 85.73% | 92.50% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 84.30% | 97.28% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.26% | 86.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.33% | 97.14% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.87% | 92.94% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.23% | 95.89% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 81.95% | 98.99% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 81.52% | 95.50% |
| CHEMBL4681 | P42330 | Aldo-keto-reductase family 1 member C3 | 81.47% | 89.05% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.52% | 93.04% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.47% | 94.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.21% | 92.62% |
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 | 163013705 |
| LOTUS | LTS0222285 |
| wikiData | Q105172905 |