[7-(Hexanoyloxymethyl)-4,5,6-trihydroxy-3,11,11,14-tetramethyl-15-oxo-12-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] dodecanoate
| Internal ID | c59d32de-5143-4026-90a5-42a05d081c3f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Tigliane and ingenane diterpenoids |
| IUPAC Name | [7-(hexanoyloxymethyl)-4,5,6-trihydroxy-3,11,11,14-tetramethyl-15-oxo-12-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] dodecanoate |
| SMILES (Canonical) | CCCCCCCCCCCC(=O)OC12CC(C34C=C(C(C3(C(C(=CC(C1C2(C)C)C4=O)COC(=O)CCCCC)O)O)O)C)C |
| SMILES (Isomeric) | CCCCCCCCCCCC(=O)OC12CC(C34C=C(C(C3(C(C(=CC(C1C2(C)C)C4=O)COC(=O)CCCCC)O)O)O)C)C |
| InChI | InChI=1S/C38H60O8/c1-7-9-11-12-13-14-15-16-18-20-30(40)46-37-23-26(4)36-22-25(3)32(41)38(36,44)33(42)27(24-45-29(39)19-17-10-8-2)21-28(34(36)43)31(37)35(37,5)6/h21-22,26,28,31-33,41-42,44H,7-20,23-24H2,1-6H3 |
| InChI Key | ZZCURNYNYCQNLR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C38H60O8 |
| Molecular Weight | 644.90 g/mol |
| Exact Mass | 644.42881887 g/mol |
| Topological Polar Surface Area (TPSA) | 130.00 Ų |
| XlogP | 6.60 |
| There are no found synonyms. |
![2D Structure of [7-(Hexanoyloxymethyl)-4,5,6-trihydroxy-3,11,11,14-tetramethyl-15-oxo-12-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] dodecanoate](https://plantaedb.com/storage/docs/compounds/2023/11/29ab2f10-8641-11ee-856b-0f832282e69b.jpg "2D Structure of [7-(Hexanoyloxymethyl)-4,5,6-trihydroxy-3,11,11,14-tetramethyl-15-oxo-12-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] dodecanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL2996 | Q05655 | Protein kinase C delta | 98.85% | 97.79% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 98.39% | 89.63% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.52% | 96.09% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 95.43% | 98.03% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.24% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.83% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.51% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.49% | 86.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.92% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.72% | 97.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.52% | 90.17% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 90.48% | 92.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.29% | 94.45% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 87.32% | 100.00% |
| CHEMBL3045 | P05771 | Protein kinase C beta | 86.12% | 97.63% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.27% | 99.23% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 82.85% | 92.86% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.73% | 96.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.27% | 95.56% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 80.25% | 92.08% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.22% | 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.
| Euphorbia cornigera |
| PubChem | 72501683 |
| LOTUS | LTS0080654 |
| wikiData | Q105386686 |