(13-Acetyloxy-1,6,14-trihydroxy-4,12,12,15-tetramethyl-5-oxo-8-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl)methyl octadeca-9,12-dienoate
| Internal ID | f9be05ce-595e-4410-a2b6-db2a48c4467c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Tigliane and ingenane diterpenoids > Phorbol esters |
| IUPAC Name | (13-acetyloxy-1,6,14-trihydroxy-4,12,12,15-tetramethyl-5-oxo-8-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl)methyl octadeca-9,12-dienoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C40H60O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-33(42)47-26-30-24-31-34-37(5,6)40(34,48-29(4)41)36(44)28(3)39(31,46)32-23-27(2)35(43)38(32,45)25-30/h11-12,14-15,23-24,28,31-32,34,36,44-46H,7-10,13,16-22,25-26H2,1-6H3 |
| InChI Key | YSXDURFMHDUCMP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C40H60O8 |
| Molecular Weight | 668.90 g/mol |
| Exact Mass | 668.42881887 g/mol |
| Topological Polar Surface Area (TPSA) | 130.00 Ų |
| XlogP | 7.10 |
| There are no found synonyms. |
![2D Structure of (13-Acetyloxy-1,6,14-trihydroxy-4,12,12,15-tetramethyl-5-oxo-8-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl)methyl octadeca-9,12-dienoate](https://plantaedb.com/storage/docs/compounds/2023/11/e7af8d10-86b8-11ee-b1f0-49828613f9a6.jpg "2D Structure of (13-Acetyloxy-1,6,14-trihydroxy-4,12,12,15-tetramethyl-5-oxo-8-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl)methyl octadeca-9,12-dienoate")
| 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 | 98.00% | 98.95% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 97.32% | 98.03% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 96.71% | 97.79% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.43% | 99.17% |
| CHEMBL3045 | P05771 | Protein kinase C beta | 93.50% | 97.63% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.59% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.77% | 86.33% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 90.22% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.11% | 97.25% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.96% | 96.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.81% | 90.17% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.55% | 94.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.43% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.91% | 89.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 87.22% | 92.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.18% | 99.23% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 86.60% | 85.94% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.47% | 97.21% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.74% | 95.56% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 85.47% | 92.08% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 85.45% | 90.08% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.71% | 97.09% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.40% | 100.00% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 82.41% | 95.92% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.88% | 93.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 81.78% | 91.81% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 81.34% | 96.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.77% | 100.00% |
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.
| Croton tiglium |
| PubChem | 78410836 |
| LOTUS | LTS0103810 |
| wikiData | Q105360899 |