(1R,5R,11S,12R,15R,16R)-16-(furan-3-yl)-6,6,11,15-tetramethyl-7,17-dioxatetracyclo[13.2.1.01,12.05,11]octadec-9-ene-3,8,18-trione
| Internal ID | 0e61f898-5862-4b86-b717-914fe42b3bc1 |
| Taxonomy | Organoheterocyclic compounds > Oxepanes |
| IUPAC Name | (1R,5R,11S,12R,15R,16R)-16-(furan-3-yl)-6,6,11,15-tetramethyl-7,17-dioxatetracyclo[13.2.1.01,12.05,11]octadec-9-ene-3,8,18-trione |
| SMILES (Canonical) | CC1(C2CC(=O)CC34C(C2(C=CC(=O)O1)C)CCC(C3=O)(C(O4)C5=COC=C5)C)C |
| SMILES (Isomeric) | C[C@]12CC[C@@H]3[C@]4(C=CC(=O)OC([C@@H]4CC(=O)C[C@@]3(C1=O)O[C@@H]2C5=COC=C5)(C)C)C |
| InChI | InChI=1S/C24H28O6/c1-21(2)17-11-15(25)12-24-16(22(17,3)9-6-18(26)29-21)5-8-23(4,20(24)27)19(30-24)14-7-10-28-13-14/h6-7,9-10,13,16-17,19H,5,8,11-12H2,1-4H3/t16-,17+,19-,22-,23-,24-/m1/s1 |
| InChI Key | JFVLLZQSYBQDMP-APSJBYJHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H28O6 |
| Molecular Weight | 412.50 g/mol |
| Exact Mass | 412.18858861 g/mol |
| Topological Polar Surface Area (TPSA) | 82.80 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of (1R,5R,11S,12R,15R,16R)-16-(furan-3-yl)-6,6,11,15-tetramethyl-7,17-dioxatetracyclo[13.2.1.01,12.05,11]octadec-9-ene-3,8,18-trione](https://plantaedb.com/storage/docs/compounds/2023/11/7d341060-85b9-11ee-bb8e-0977d7a4891b.jpg "2D Structure of (1R,5R,11S,12R,15R,16R)-16-(furan-3-yl)-6,6,11,15-tetramethyl-7,17-dioxatetracyclo[13.2.1.01,12.05,11]octadec-9-ene-3,8,18-trione")
| 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 |
|---|---|---|---|---|
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 95.34% | 91.38% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.25% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.22% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.26% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.21% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.91% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.07% | 89.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.88% | 93.04% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 83.84% | 96.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 83.56% | 100.00% |
| CHEMBL2094128 | P24941 | Cyclin-dependent kinase 2/cyclin A | 83.22% | 97.25% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.15% | 94.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.93% | 96.09% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 82.84% | 92.97% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 81.46% | 91.24% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.30% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.26% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.96% | 98.95% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 80.87% | 88.42% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 80.50% | 96.39% |
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.
| Cedrelopsis grevei |
| PubChem | 101036586 |
| LOTUS | LTS0095125 |
| wikiData | Q105127058 |