[(1S,2R,4R,9S,10S,13R,16R,18R,19R)-18-hydroxy-5,5,9-trimethyl-14-oxo-15,17-dioxapentacyclo[11.5.1.01,10.04,9.016,19]nonadecan-2-yl] acetate
| Internal ID | acf59895-27fe-439e-92b7-49c1f3202b59 |
| Taxonomy | Organoheterocyclic compounds > Furofurans |
| IUPAC Name | [(1S,2R,4R,9S,10S,13R,16R,18R,19R)-18-hydroxy-5,5,9-trimethyl-14-oxo-15,17-dioxapentacyclo[11.5.1.01,10.04,9.016,19]nonadecan-2-yl] acetate |
| SMILES (Canonical) | CC(=O)OC1CC2C(CCCC2(C3C14C5C(CC3)C(=O)OC5OC4O)C)(C)C |
| SMILES (Isomeric) | CC(=O)O[C@@H]1C[C@H]2[C@](CCCC2(C)C)([C@H]3[C@]14[C@H]5[C@@H](CC3)C(=O)O[C@H]5O[C@H]4O)C |
| InChI | InChI=1S/C22H32O6/c1-11(23)26-15-10-14-20(2,3)8-5-9-21(14,4)13-7-6-12-16-18(27-17(12)24)28-19(25)22(13,15)16/h12-16,18-19,25H,5-10H2,1-4H3/t12-,13+,14-,15-,16+,18+,19-,21-,22-/m1/s1 |
| InChI Key | SJUIUZNWNSLYJG-URHQRGLQSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H32O6 |
| Molecular Weight | 392.50 g/mol |
| Exact Mass | 392.21988874 g/mol |
| Topological Polar Surface Area (TPSA) | 82.10 Ų |
| XlogP | 4.00 |
| There are no found synonyms. |
![2D Structure of [(1S,2R,4R,9S,10S,13R,16R,18R,19R)-18-hydroxy-5,5,9-trimethyl-14-oxo-15,17-dioxapentacyclo[11.5.1.01,10.04,9.016,19]nonadecan-2-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/3ac66990-84f8-11ee-b45e-15627232e71d.jpg "2D Structure of [(1S,2R,4R,9S,10S,13R,16R,18R,19R)-18-hydroxy-5,5,9-trimethyl-14-oxo-15,17-dioxapentacyclo[11.5.1.01,10.04,9.016,19]nonadecan-2-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.00% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.16% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.80% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.73% | 96.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 92.42% | 91.19% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.50% | 97.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 88.71% | 96.77% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.91% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.76% | 85.14% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.97% | 96.38% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.91% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.06% | 100.00% |
| CHEMBL5028 | O14672 | ADAM10 | 82.73% | 97.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.96% | 97.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.32% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.20% | 92.62% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 81.15% | 83.82% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.10% | 92.94% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.88% | 97.28% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.30% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.02% | 86.33% |
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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 163187378 |
| LOTUS | LTS0077899 |
| wikiData | Q105254562 |