(8-Formyl-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl) hexadecanoate
| Internal ID | 59812b40-82ec-4d45-8c1c-4cc0d17b666c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Tigliane and ingenane diterpenoids > Phorbol esters |
| IUPAC Name | (8-formyl-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl) hexadecanoate |
| SMILES (Canonical) | CCCCCCCCCCCCCCCC(=O)OC12CC(C3(C(C1C2(C)C)C=C(CC4(C3C=C(C4=O)C)O)C=O)O)C |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCC(=O)OC12CC(C3(C(C1C2(C)C)C=C(CC4(C3C=C(C4=O)C)O)C=O)O)C |
| InChI | InChI=1S/C36H56O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(38)42-35-22-26(3)36(41)28(31(35)33(35,4)5)21-27(24-37)23-34(40)29(36)20-25(2)32(34)39/h20-21,24,26,28-29,31,40-41H,6-19,22-23H2,1-5H3 |
| InChI Key | NFTGKFBSWRGMSO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H56O6 |
| Molecular Weight | 584.80 g/mol |
| Exact Mass | 584.40768950 g/mol |
| Topological Polar Surface Area (TPSA) | 101.00 Ų |
| XlogP | 8.50 |
| There are no found synonyms. |
![2D Structure of (8-Formyl-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl) hexadecanoate](https://plantaedb.com/storage/docs/compounds/2023/11/56dc1240-8716-11ee-aec0-3b9e30ffe102.jpg "2D Structure of (8-Formyl-1,6-dihydroxy-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl) hexadecanoate")
| 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 | 97.13% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.23% | 98.95% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 93.29% | 89.63% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.95% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.86% | 97.25% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 91.76% | 98.03% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.22% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.26% | 86.33% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 88.19% | 92.50% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 88.11% | 97.79% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.78% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.62% | 94.45% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 86.01% | 95.92% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 85.97% | 93.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 85.23% | 100.00% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 84.85% | 85.94% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.31% | 99.23% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 83.33% | 82.38% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.08% | 100.00% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.82% | 91.24% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.40% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.10% | 97.09% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 80.37% | 96.00% |
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 fischeri |
| PubChem | 73049116 |
| LOTUS | LTS0095678 |
| wikiData | Q105178668 |