(2,4,7,14,15-Pentaacetyloxy-5,9-dimethyl-11-prop-1-en-2-yl-16-oxatetracyclo[7.5.2.01,10.03,7]hexadec-12-en-8-yl) pyridine-3-carboxylate
| Internal ID | 6c137e83-e15c-4bc1-ae8c-285c6d386f63 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Hexacarboxylic acids and derivatives |
| IUPAC Name | (2,4,7,14,15-pentaacetyloxy-5,9-dimethyl-11-prop-1-en-2-yl-16-oxatetracyclo[7.5.2.01,10.03,7]hexadec-12-en-8-yl) pyridine-3-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C36H43NO13/c1-17(2)25-12-13-26(44-19(4)38)36-29(25)34(9,50-33(36)47-22(7)41)32(48-31(43)24-11-10-14-37-16-24)35(49-23(8)42)15-18(3)28(45-20(5)39)27(35)30(36)46-21(6)40/h10-14,16,18,25-30,32-33H,1,15H2,2-9H3 |
| InChI Key | HMLAXYUEYCSDRE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H43NO13 |
| Molecular Weight | 697.70 g/mol |
| Exact Mass | 697.27344043 g/mol |
| Topological Polar Surface Area (TPSA) | 180.00 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of (2,4,7,14,15-Pentaacetyloxy-5,9-dimethyl-11-prop-1-en-2-yl-16-oxatetracyclo[7.5.2.01,10.03,7]hexadec-12-en-8-yl) pyridine-3-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/37cdf590-84d8-11ee-a741-cb2626f66f5c.jpg "2D Structure of (2,4,7,14,15-Pentaacetyloxy-5,9-dimethyl-11-prop-1-en-2-yl-16-oxatetracyclo[7.5.2.01,10.03,7]hexadec-12-en-8-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.79% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.63% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.39% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.33% | 98.95% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 92.20% | 97.79% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 91.18% | 93.10% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.09% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.85% | 91.11% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 90.77% | 81.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.48% | 99.23% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 89.01% | 89.34% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 88.99% | 97.33% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 88.01% | 94.80% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.92% | 94.45% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 85.75% | 95.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.86% | 94.00% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 83.38% | 83.00% |
| CHEMBL5028 | O14672 | ADAM10 | 83.26% | 97.50% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 83.25% | 96.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.04% | 90.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.48% | 91.07% |
| CHEMBL3975 | P09467 | Fructose-1,6-bisphosphatase | 82.45% | 92.95% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 81.54% | 91.24% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 81.28% | 94.08% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.09% | 94.73% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 80.32% | 85.30% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.05% | 95.89% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.04% | 100.00% |
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 teheranica |
| PubChem | 73157938 |
| LOTUS | LTS0082084 |
| wikiData | Q105030556 |