[(1S,2S,3R,4S,9R,10R,13R,16R,18R,19R)-3,18-dihydroxy-5,5,9-trimethyl-14-oxo-15,17-dioxapentacyclo[11.5.1.01,10.04,9.016,19]nonadecan-2-yl] butanoate
| Internal ID | 874b10f0-d847-43e6-9617-212b0a113cb9 |
| Taxonomy | Organoheterocyclic compounds > Furofurans |
| IUPAC Name | [(1S,2S,3R,4S,9R,10R,13R,16R,18R,19R)-3,18-dihydroxy-5,5,9-trimethyl-14-oxo-15,17-dioxapentacyclo[11.5.1.01,10.04,9.016,19]nonadecan-2-yl] butanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H36O7/c1-5-7-14(25)29-18-16(26)17-22(2,3)10-6-11-23(17,4)13-9-8-12-15-20(30-19(12)27)31-21(28)24(13,15)18/h12-13,15-18,20-21,26,28H,5-11H2,1-4H3/t12-,13-,15+,16-,17+,18-,20+,21-,23-,24+/m1/s1 |
| InChI Key | IDYOPZOUOCVSCT-BHWLRRSUSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C24H36O7 |
| Molecular Weight | 436.50 g/mol |
| Exact Mass | 436.24610348 g/mol |
| Topological Polar Surface Area (TPSA) | 102.00 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
![2D Structure of [(1S,2S,3R,4S,9R,10R,13R,16R,18R,19R)-3,18-dihydroxy-5,5,9-trimethyl-14-oxo-15,17-dioxapentacyclo[11.5.1.01,10.04,9.016,19]nonadecan-2-yl] butanoate](https://plantaedb.com/storage/docs/compounds/2023/11/0d67d560-8628-11ee-b48f-e5181ad7e86f.jpg "2D Structure of [(1S,2S,3R,4S,9R,10R,13R,16R,18R,19R)-3,18-dihydroxy-5,5,9-trimethyl-14-oxo-15,17-dioxapentacyclo[11.5.1.01,10.04,9.016,19]nonadecan-2-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.88% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.13% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.92% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.05% | 94.45% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 93.88% | 96.61% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.63% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 92.93% | 83.82% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.79% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.53% | 95.89% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.30% | 96.77% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 88.57% | 82.50% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 87.42% | 96.38% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 87.30% | 92.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.97% | 91.19% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.66% | 92.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.93% | 89.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.47% | 94.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.40% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.02% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.96% | 99.23% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 82.93% | 89.34% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.78% | 100.00% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.53% | 97.28% |
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 | 101318306 |
| LOTUS | LTS0085088 |
| wikiData | Q104393674 |