Methyl 12-acetyloxy-16-(furan-3-yl)-4,9,9,15-tetramethyl-5,10,18-trioxo-2,6,17-trioxapentacyclo[10.7.0.01,15.03,11.04,8]nonadecane-7-carboxylate
| Internal ID | db24c248-65ca-4b9b-ad40-94a7f306dd9f |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tetracarboxylic acids and derivatives |
| IUPAC Name | methyl 12-acetyloxy-16-(furan-3-yl)-4,9,9,15-tetramethyl-5,10,18-trioxo-2,6,17-trioxapentacyclo[10.7.0.01,15.03,11.04,8]nonadecane-7-carboxylate |
| SMILES (Canonical) | CC(=O)OC12CCC3(C1(CC(=O)OC3C4=COC=C4)OC5C2C(=O)C(C6C5(C(=O)OC6C(=O)OC)C)(C)C)C |
| SMILES (Isomeric) | CC(=O)OC12CCC3(C1(CC(=O)OC3C4=COC=C4)OC5C2C(=O)C(C6C5(C(=O)OC6C(=O)OC)C)(C)C)C |
| InChI | InChI=1S/C28H32O11/c1-13(29)38-27-9-8-25(4)20(14-7-10-35-12-14)36-15(30)11-28(25,27)39-21-16(27)19(31)24(2,3)18-17(22(32)34-6)37-23(33)26(18,21)5/h7,10,12,16-18,20-21H,8-9,11H2,1-6H3 |
| InChI Key | KCUDJAHQSKFKLX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H32O11 |
| Molecular Weight | 544.50 g/mol |
| Exact Mass | 544.19446183 g/mol |
| Topological Polar Surface Area (TPSA) | 145.00 Ų |
| XlogP | 1.50 |
| There are no found synonyms. |
![2D Structure of Methyl 12-acetyloxy-16-(furan-3-yl)-4,9,9,15-tetramethyl-5,10,18-trioxo-2,6,17-trioxapentacyclo[10.7.0.01,15.03,11.04,8]nonadecane-7-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/adae7ae0-85e7-11ee-b741-33ca553d2c62.jpg "2D Structure of Methyl 12-acetyloxy-16-(furan-3-yl)-4,9,9,15-tetramethyl-5,10,18-trioxo-2,6,17-trioxapentacyclo[10.7.0.01,15.03,11.04,8]nonadecane-7-carboxylate")
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.81% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.59% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.30% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.01% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.78% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.72% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.88% | 97.09% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 83.76% | 92.88% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.10% | 94.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.76% | 94.80% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.29% | 97.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.26% | 94.73% |
| CHEMBL5028 | O14672 | ADAM10 | 80.12% | 97.50% |
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.
| Heynea trijuga |
| PubChem | 163043749 |
| LOTUS | LTS0274622 |
| wikiData | Q105138943 |