[8-(Acetyloxymethyl)-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] octadec-9-enoate
| Internal ID | 9b7962cb-8559-44b7-a7b9-7b1502afe623 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Tigliane and ingenane diterpenoids > Phorbol esters |
| IUPAC Name | [8-(acetyloxymethyl)-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] octadec-9-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C40H62O7/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-34(42)47-39-25-29(3)40(45)32(35(39)37(39,5)6)24-31(27-46-30(4)41)26-38(44)33(40)23-28(2)36(38)43/h14-15,23-24,29,32-33,35,44-45H,7-13,16-22,25-27H2,1-6H3 |
| InChI Key | FRLZOANJBWVXPT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C40H62O7 |
| Molecular Weight | 654.90 g/mol |
| Exact Mass | 654.44955431 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | 8.80 |
| There are no found synonyms. |
![2D Structure of [8-(Acetyloxymethyl)-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] octadec-9-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/9a879040-8756-11ee-98d9-01306a83adfe.jpg "2D Structure of [8-(Acetyloxymethyl)-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] octadec-9-enoate")
| 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 | 97.94% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.01% | 99.17% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 96.81% | 89.63% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.30% | 91.11% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 96.17% | 98.03% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.92% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.43% | 98.95% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 94.59% | 97.79% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 90.79% | 92.50% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 90.38% | 100.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.50% | 94.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.05% | 86.33% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 87.91% | 96.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.18% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.75% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.10% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.88% | 97.09% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.81% | 93.00% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 84.20% | 92.08% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.76% | 100.00% |
| CHEMBL3045 | P05771 | Protein kinase C beta | 82.45% | 97.63% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 82.13% | 95.92% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 81.90% | 82.38% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.87% | 90.17% |
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 fischeri |
| PubChem | 72998110 |
| LOTUS | LTS0050278 |
| wikiData | Q105000252 |