[4,5-Dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxo-6-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] hexa-3,5-dienoate
| Internal ID | 2ce7523e-86d6-4f07-a969-c10cd8866518 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Tigliane and ingenane diterpenoids |
| IUPAC Name | [4,5-dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxo-6-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] hexa-3,5-dienoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H34O6/c1-6-7-8-9-19(28)32-23-16(13-27)11-17-20-18(24(20,4)5)10-15(3)25(22(17)30)12-14(2)21(29)26(23,25)31/h6-8,11-12,15,17-18,20-21,23,27,29,31H,1,9-10,13H2,2-5H3 |
| InChI Key | AWRJTPFCJAMATC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H34O6 |
| Molecular Weight | 442.50 g/mol |
| Exact Mass | 442.23553880 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 1.60 |
| There are no found synonyms. |
![2D Structure of [4,5-Dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxo-6-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] hexa-3,5-dienoate](https://plantaedb.com/storage/docs/compounds/2023/11/d45e39c0-85b0-11ee-97f3-71e2c9c2bb77.jpg "2D Structure of [4,5-Dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxo-6-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] hexa-3,5-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 |
|---|---|---|---|---|
| CHEMBL2996 | Q05655 | Protein kinase C delta | 99.70% | 97.79% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.35% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.17% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.28% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.18% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.50% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.44% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.57% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.89% | 92.94% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.56% | 86.33% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 85.11% | 91.24% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.87% | 98.95% |
| CHEMBL1871 | P10275 | Androgen Receptor | 84.81% | 96.43% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.03% | 82.69% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 83.94% | 89.63% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.62% | 96.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.61% | 91.19% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.18% | 93.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.55% | 94.45% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.78% | 90.24% |
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 kamerunica |
| PubChem | 163065508 |
| LOTUS | LTS0080979 |
| wikiData | Q104920225 |