(1,11-Diacetyloxy-13-benzoyloxy-3,14-dimethyl-10-methylidene-9-tricyclo[10.3.0.05,7]pentadec-3-enyl) pyridine-3-carboxylate
| Internal ID | 6d6fdbc0-a4a8-4ae6-bbe1-e271e928bc27 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tetracarboxylic acids and derivatives |
| IUPAC Name | (1,11-diacetyloxy-13-benzoyloxy-3,14-dimethyl-10-methylidene-9-tricyclo[10.3.0.05,7]pentadec-3-enyl) pyridine-3-carboxylate |
| SMILES (Canonical) | CC1CC2(CC(=CC3CC3CC(C(=C)C(C2C1OC(=O)C4=CC=CC=C4)OC(=O)C)OC(=O)C5=CN=CC=C5)C)OC(=O)C |
| SMILES (Isomeric) | CC1CC2(CC(=CC3CC3CC(C(=C)C(C2C1OC(=O)C4=CC=CC=C4)OC(=O)C)OC(=O)C5=CN=CC=C5)C)OC(=O)C |
| InChI | InChI=1S/C35H39NO8/c1-20-14-27-15-28(27)16-29(42-34(40)26-12-9-13-36-19-26)22(3)32(41-23(4)37)30-31(43-33(39)25-10-7-6-8-11-25)21(2)18-35(30,17-20)44-24(5)38/h6-14,19,21,27-32H,3,15-18H2,1-2,4-5H3 |
| InChI Key | ADJMLUIEQKXKBO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H39NO8 |
| Molecular Weight | 601.70 g/mol |
| Exact Mass | 601.26756720 g/mol |
| Topological Polar Surface Area (TPSA) | 118.00 Ų |
| XlogP | 5.10 |
| There are no found synonyms. |
![2D Structure of (1,11-Diacetyloxy-13-benzoyloxy-3,14-dimethyl-10-methylidene-9-tricyclo[10.3.0.05,7]pentadec-3-enyl) pyridine-3-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/a2e76de0-8582-11ee-b6c6-d1239d96121d.jpg "2D Structure of (1,11-Diacetyloxy-13-benzoyloxy-3,14-dimethyl-10-methylidene-9-tricyclo[10.3.0.05,7]pentadec-3-enyl) 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 |
|---|---|---|---|---|
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 95.96% | 94.08% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.05% | 86.33% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 94.74% | 94.62% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.15% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.05% | 91.49% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.37% | 99.23% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.83% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.13% | 98.95% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 88.31% | 97.79% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 87.95% | 97.53% |
| CHEMBL5028 | O14672 | ADAM10 | 87.70% | 97.50% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.55% | 97.21% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.80% | 95.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.65% | 89.00% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 81.72% | 96.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 80.09% | 85.14% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 80.08% | 83.00% |
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 lathyris |
| PubChem | 162980594 |
| LOTUS | LTS0192276 |
| wikiData | Q104909626 |