[4,5,8,12-Tetraacetyloxy-7-(furan-3-carbonyloxy)-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-6-yl]methyl pyridine-3-carboxylate
| Internal ID | 8b0f25d1-3e89-4aae-8003-efe310b5d37e |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Hexacarboxylic acids and derivatives |
| IUPAC Name | [4,5,8,12-tetraacetyloxy-7-(furan-3-carbonyloxy)-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-6-yl]methyl pyridine-3-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H39NO15/c1-17(36)45-23-13-32(7,42)34-27(48-20(4)39)24(31(5,6)50-34)25(46-18(2)37)28(49-30(41)22-10-12-43-15-22)33(34,26(23)47-19(3)38)16-44-29(40)21-9-8-11-35-14-21/h8-12,14-15,23-28,42H,13,16H2,1-7H3 |
| InChI Key | FWCJFALCBHRULP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H39NO15 |
| Molecular Weight | 701.70 g/mol |
| Exact Mass | 701.23196954 g/mol |
| Topological Polar Surface Area (TPSA) | 213.00 Ų |
| XlogP | 1.20 |
| There are no found synonyms. |
![2D Structure of [4,5,8,12-Tetraacetyloxy-7-(furan-3-carbonyloxy)-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-6-yl]methyl pyridine-3-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/cda62640-865c-11ee-b35f-cf22ec05cd3c.jpg "2D Structure of [4,5,8,12-Tetraacetyloxy-7-(furan-3-carbonyloxy)-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-6-yl]methyl pyridine-3-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.17% | 96.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 97.65% | 97.79% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.55% | 86.33% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.92% | 90.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.65% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.27% | 94.45% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 93.93% | 93.10% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.94% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.02% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.79% | 94.00% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 88.92% | 81.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.60% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.66% | 90.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.99% | 91.07% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.65% | 95.89% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 82.78% | 92.51% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.64% | 89.00% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 80.58% | 91.24% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.11% | 96.67% |
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.
| Celastrus angulata |
| PubChem | 163023605 |
| LOTUS | LTS0101457 |
| wikiData | Q105003097 |