(13-Acetyloxy-4,8,8,11,15-pentamethyl-12-oxo-3-oxatetracyclo[11.3.0.02,4.07,9]hexadec-10-en-16-yl) pyridine-3-carboxylate
| Internal ID | 6c38a039-115d-4502-921a-b4bcc42200c7 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (13-acetyloxy-4,8,8,11,15-pentamethyl-12-oxo-3-oxatetracyclo[11.3.0.02,4.07,9]hexadec-10-en-16-yl) pyridine-3-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C28H35NO6/c1-15-12-20-19(26(20,4)5)9-10-27(6)24(35-27)21-22(33-25(32)18-8-7-11-29-14-18)16(2)13-28(21,23(15)31)34-17(3)30/h7-8,11-12,14,16,19-22,24H,9-10,13H2,1-6H3 |
| InChI Key | LDSYBWFFZOMEHD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H35NO6 |
| Molecular Weight | 481.60 g/mol |
| Exact Mass | 481.24643784 g/mol |
| Topological Polar Surface Area (TPSA) | 95.10 Ų |
| XlogP | 4.20 |
| There are no found synonyms. |
![2D Structure of (13-Acetyloxy-4,8,8,11,15-pentamethyl-12-oxo-3-oxatetracyclo[11.3.0.02,4.07,9]hexadec-10-en-16-yl) pyridine-3-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/72c2fd50-8562-11ee-b015-5bb079562d9e.jpg "2D Structure of (13-Acetyloxy-4,8,8,11,15-pentamethyl-12-oxo-3-oxatetracyclo[11.3.0.02,4.07,9]hexadec-10-en-16-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 |
|---|---|---|---|---|
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.36% | 86.33% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 95.16% | 94.80% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.57% | 96.09% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 93.33% | 97.79% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.42% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.15% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.43% | 99.23% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 89.19% | 81.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.03% | 100.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.17% | 94.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.51% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.92% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.89% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.53% | 95.89% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.31% | 89.34% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 84.21% | 96.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.81% | 100.00% |
| CHEMBL5028 | O14672 | ADAM10 | 82.18% | 97.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.94% | 97.09% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 81.51% | 94.08% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.20% | 89.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.13% | 91.07% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.80% | 90.00% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.71% | 98.75% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 80.47% | 83.00% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 80.41% | 96.39% |
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 characias |
| PubChem | 162842404 |
| LOTUS | LTS0046961 |
| wikiData | Q105150361 |