9,16-Dihydroxy-2,5,13,16-tetramethyl-9-propan-2-yl-6,15,19-trioxatetracyclo[12.5.1.05,10.017,20]icosa-1,12-diene-7,8,18-trione
| Internal ID | d7ea3d2f-d2a1-4d7e-a39d-66a955f84941 |
| Taxonomy | Organoheterocyclic compounds > Furofurans |
| IUPAC Name | 9,16-dihydroxy-2,5,13,16-tetramethyl-9-propan-2-yl-6,15,19-trioxatetracyclo[12.5.1.05,10.017,20]icosa-1,12-diene-7,8,18-trione |
| SMILES (Canonical) | CC1=C2C3C(C(=O)O2)C(OC3C(=CCC4C(CC1)(OC(=O)C(=O)C4(C(C)C)O)C)C)(C)O |
| SMILES (Isomeric) | CC1=C2C3C(C(=O)O2)C(OC3C(=CCC4C(CC1)(OC(=O)C(=O)C4(C(C)C)O)C)C)(C)O |
| InChI | InChI=1S/C24H32O8/c1-11(2)24(29)14-8-7-12(3)18-15-16(23(6,28)31-18)20(26)30-17(15)13(4)9-10-22(14,5)32-21(27)19(24)25/h7,11,14-16,18,28-29H,8-10H2,1-6H3 |
| InChI Key | ACYYQFZAPACISZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H32O8 |
| Molecular Weight | 448.50 g/mol |
| Exact Mass | 448.20971797 g/mol |
| Topological Polar Surface Area (TPSA) | 119.00 Ų |
| XlogP | 1.40 |
| There are no found synonyms. |
![2D Structure of 9,16-Dihydroxy-2,5,13,16-tetramethyl-9-propan-2-yl-6,15,19-trioxatetracyclo[12.5.1.05,10.017,20]icosa-1,12-diene-7,8,18-trione](https://plantaedb.com/storage/docs/compounds/2023/11/9cf208c0-832c-11ee-a9e9-f3afd6e214bd.jpg "2D Structure of 9,16-Dihydroxy-2,5,13,16-tetramethyl-9-propan-2-yl-6,15,19-trioxatetracyclo[12.5.1.05,10.017,20]icosa-1,12-diene-7,8,18-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.19% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.15% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.55% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.25% | 99.23% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.47% | 97.25% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 86.97% | 94.75% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.87% | 93.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.11% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.55% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.72% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.46% | 97.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.25% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.55% | 100.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.24% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.58% | 89.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 80.55% | 96.47% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.45% | 93.03% |
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 | 162878534 |
| LOTUS | LTS0104826 |
| wikiData | Q104085091 |