(4,9,13-Triacetyloxy-8-benzoyloxy-3,6,10,14-tetramethyl-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-6-yl)methyl pyridine-3-carboxylate
| Internal ID | 5e818e69-80ac-4704-9c43-6dfc78bd0d92 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (4,9,13-triacetyloxy-8-benzoyloxy-3,6,10,14-tetramethyl-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-6-yl)methyl pyridine-3-carboxylate |
| SMILES (Canonical) | CC1CC23C(=O)C(C(C4C(C4(C)COC(=O)C5=CN=CC=C5)C(C(C(=CC2(C1OC(=O)C)O3)C)OC(=O)C)OC(=O)C6=CC=CC=C6)OC(=O)C)C |
| SMILES (Isomeric) | CC1CC23C(=O)C(C(C4C(C4(C)COC(=O)C5=CN=CC=C5)C(C(C(=CC2(C1OC(=O)C)O3)C)OC(=O)C)OC(=O)C6=CC=CC=C6)OC(=O)C)C |
| InChI | InChI=1S/C39H43NO12/c1-20-16-39-34(50-25(6)43)21(2)17-38(39,52-39)33(44)22(3)31(49-24(5)42)28-29(37(28,7)19-47-35(45)27-14-11-15-40-18-27)32(30(20)48-23(4)41)51-36(46)26-12-9-8-10-13-26/h8-16,18,21-22,28-32,34H,17,19H2,1-7H3 |
| InChI Key | ZUOLHGQLXMMZGR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C39H43NO12 |
| Molecular Weight | 717.80 g/mol |
| Exact Mass | 717.27852581 g/mol |
| Topological Polar Surface Area (TPSA) | 174.00 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
![2D Structure of (4,9,13-Triacetyloxy-8-benzoyloxy-3,6,10,14-tetramethyl-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-6-yl)methyl pyridine-3-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/ae252b20-85a2-11ee-9343-ab7cfab62710.jpg "2D Structure of (4,9,13-Triacetyloxy-8-benzoyloxy-3,6,10,14-tetramethyl-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-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 |
|---|---|---|---|---|
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 98.40% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.26% | 98.95% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 96.31% | 97.79% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.84% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.98% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 94.27% | 99.23% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.91% | 91.49% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 91.63% | 89.34% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 88.49% | 81.11% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 88.22% | 83.00% |
| CHEMBL5028 | O14672 | ADAM10 | 86.85% | 97.50% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.70% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.88% | 94.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 83.20% | 94.80% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.80% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.35% | 90.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.80% | 91.07% |
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 marginata |
| PubChem | 3976061 |
| LOTUS | LTS0022696 |
| wikiData | Q105383924 |