[7-Acetyloxy-5,9-dimethyl-8-oxo-2,4-di(propanoyloxy)-11-prop-1-en-2-yl-16-oxatetracyclo[7.5.2.01,10.03,7]hexadec-12-en-14-yl] pyridine-3-carboxylate
| Internal ID | d74b8497-0a01-4996-aa8a-9da3ebfc6453 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tetracarboxylic acids and derivatives |
| IUPAC Name | [7-acetyloxy-5,9-dimethyl-8-oxo-2,4-di(propanoyloxy)-11-prop-1-en-2-yl-16-oxatetracyclo[7.5.2.01,10.03,7]hexadec-12-en-14-yl] pyridine-3-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H41NO10/c1-8-24(37)43-27-19(5)15-34(45-20(6)36)26(27)29(44-25(38)9-2)33-17-41-32(7,31(34)40)28(33)22(18(3)4)12-13-23(33)42-30(39)21-11-10-14-35-16-21/h10-14,16,19,22-23,26-29H,3,8-9,15,17H2,1-2,4-7H3 |
| InChI Key | PFKLAHVLCZSMBB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H41NO10 |
| Molecular Weight | 623.70 g/mol |
| Exact Mass | 623.27304650 g/mol |
| Topological Polar Surface Area (TPSA) | 144.00 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of [7-Acetyloxy-5,9-dimethyl-8-oxo-2,4-di(propanoyloxy)-11-prop-1-en-2-yl-16-oxatetracyclo[7.5.2.01,10.03,7]hexadec-12-en-14-yl] pyridine-3-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/ee71a120-8574-11ee-b450-b1bbc49f3775.jpg "2D Structure of [7-Acetyloxy-5,9-dimethyl-8-oxo-2,4-di(propanoyloxy)-11-prop-1-en-2-yl-16-oxatetracyclo[7.5.2.01,10.03,7]hexadec-12-en-14-yl] 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 |
|---|---|---|---|---|
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 98.15% | 89.34% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.49% | 96.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 97.26% | 97.79% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.79% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.77% | 97.25% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.38% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.78% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.92% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.32% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.75% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.73% | 99.23% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 87.23% | 81.11% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 86.87% | 93.10% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.30% | 89.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.61% | 91.07% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.13% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.02% | 100.00% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.83% | 91.24% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.56% | 94.80% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.35% | 94.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.78% | 95.89% |
| CHEMBL5028 | O14672 | ADAM10 | 81.23% | 97.50% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.26% | 94.00% |
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.
| Euphorbia myrsinites |
| PubChem | 74346916 |
| LOTUS | LTS0208454 |
| wikiData | Q105207805 |