[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] 2,2-dimethylpropanoate
| Internal ID | 29ff1b93-53da-4843-8ebf-608dea029055 |
| 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] 2,2-dimethylpropanoate |
| SMILES (Canonical) | CC1CC2(C(C2(C)C)C3C1(C4C=C(C(=O)C4(CC(=C3)COC(=O)C)O)C)O)OC(=O)C(C)(C)C |
| SMILES (Isomeric) | CC1CC2(C(C2(C)C)C3C1(C4C=C(C(=O)C4(CC(=C3)COC(=O)C)O)C)O)OC(=O)C(C)(C)C |
| InChI | InChI=1S/C27H38O7/c1-14-9-19-25(31,21(14)29)12-17(13-33-16(3)28)10-18-20-24(7,8)26(20,11-15(2)27(18,19)32)34-22(30)23(4,5)6/h9-10,15,18-20,31-32H,11-13H2,1-8H3 |
| InChI Key | JDIOCVLYGSKQDS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H38O7 |
| Molecular Weight | 474.60 g/mol |
| Exact Mass | 474.26175355 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | 2.70 |
| 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] 2,2-dimethylpropanoate](https://plantaedb.com/storage/docs/compounds/2023/11/55dd0660-8637-11ee-bce9-a7d5a482f2bd.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] 2,2-dimethylpropanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 99.45% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.51% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.04% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.86% | 91.11% |
| CHEMBL4794 | Q8NER1 | Vanilloid receptor | 93.33% | 98.97% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.03% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.99% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.05% | 94.45% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 86.02% | 97.79% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.95% | 97.09% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.69% | 91.07% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.59% | 100.00% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 81.97% | 90.93% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.78% | 99.23% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.59% | 94.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.56% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.34% | 94.00% |
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 fortissima |
| PubChem | 163020783 |
| LOTUS | LTS0206510 |
| wikiData | Q105125510 |