(4,13-Diacetyloxy-8-methoxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-9-yl) 2-methylbutanoate
| Internal ID | 22b8c2ad-8594-4fff-9e77-d56091e59c7e |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | (4,13-diacetyloxy-8-methoxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-9-yl) 2-methylbutanoate |
| SMILES (Canonical) | CCC(C)C(=O)OC1C(C2C(C2(C)C)C(C(C(=O)C34CC(C(C3(O4)C=C1C)OC(=O)C)C)C)OC(=O)C)OC |
| SMILES (Isomeric) | CCC(C)C(=O)OC1C(C2C(C2(C)C)C(C(C(=O)C34CC(C(C3(O4)C=C1C)OC(=O)C)C)C)OC(=O)C)OC |
| InChI | InChI=1S/C30H44O9/c1-11-14(2)27(34)38-22-15(3)12-30-26(37-19(7)32)16(4)13-29(30,39-30)25(33)17(5)23(36-18(6)31)20-21(24(22)35-10)28(20,8)9/h12,14,16-17,20-24,26H,11,13H2,1-10H3 |
| InChI Key | OCUXZJFYAPFODP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H44O9 |
| Molecular Weight | 548.70 g/mol |
| Exact Mass | 548.29853298 g/mol |
| Topological Polar Surface Area (TPSA) | 118.00 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of (4,13-Diacetyloxy-8-methoxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-9-yl) 2-methylbutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/58a7a290-858f-11ee-beb2-5fe90898cadb.jpg "2D Structure of (4,13-Diacetyloxy-8-methoxy-3,6,6,10,14-pentamethyl-2-oxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-9-yl) 2-methylbutanoate")
| 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 | 98.27% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.66% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.98% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.92% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.73% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.18% | 97.25% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 92.73% | 97.79% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.14% | 86.33% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 89.61% | 96.47% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 88.56% | 94.80% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.08% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.45% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.29% | 99.23% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.19% | 93.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.14% | 95.89% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.15% | 92.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.14% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.02% | 97.14% |
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 cornigera |
| PubChem | 162941743 |
| LOTUS | LTS0085638 |
| wikiData | Q105189609 |