[11,13-Dihydroxy-3-(hydroxymethyl)-6,6,10,14-tetramethyl-2-oxo-1-tricyclo[10.3.0.05,7]pentadeca-3,9-dienyl] 3-phenylprop-2-enoate
| Internal ID | 66162425-737a-4296-9669-66c094384847 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | [11,13-dihydroxy-3-(hydroxymethyl)-6,6,10,14-tetramethyl-2-oxo-1-tricyclo[10.3.0.05,7]pentadeca-3,9-dienyl] 3-phenylprop-2-enoate |
| SMILES (Canonical) | CC1CC2(C(C1O)C(C(=CCC3C(C3(C)C)C=C(C2=O)CO)C)O)OC(=O)C=CC4=CC=CC=C4 |
| SMILES (Isomeric) | CC1CC2(C(C1O)C(C(=CCC3C(C3(C)C)C=C(C2=O)CO)C)O)OC(=O)C=CC4=CC=CC=C4 |
| InChI | InChI=1S/C29H36O6/c1-17-10-12-21-22(28(21,3)4)14-20(16-30)27(34)29(15-18(2)26(33)24(29)25(17)32)35-23(31)13-11-19-8-6-5-7-9-19/h5-11,13-14,18,21-22,24-26,30,32-33H,12,15-16H2,1-4H3 |
| InChI Key | CGOUETXUJGEGNX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H36O6 |
| Molecular Weight | 480.60 g/mol |
| Exact Mass | 480.25118886 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
![2D Structure of [11,13-Dihydroxy-3-(hydroxymethyl)-6,6,10,14-tetramethyl-2-oxo-1-tricyclo[10.3.0.05,7]pentadeca-3,9-dienyl] 3-phenylprop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/0a86dc30-8539-11ee-8637-c1314ea503be.jpg "2D Structure of [11,13-Dihydroxy-3-(hydroxymethyl)-6,6,10,14-tetramethyl-2-oxo-1-tricyclo[10.3.0.05,7]pentadeca-3,9-dienyl] 3-phenylprop-2-enoate")
| 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 |
|---|---|---|---|---|
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 98.27% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.13% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.54% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.65% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.50% | 98.95% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.09% | 93.99% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.43% | 96.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.30% | 97.09% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 85.07% | 91.71% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.00% | 90.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.82% | 89.00% |
| CHEMBL5028 | O14672 | ADAM10 | 83.76% | 97.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.79% | 94.73% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.33% | 93.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.77% | 95.50% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.36% | 94.75% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 80.72% | 94.62% |
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 kansuensis |
| PubChem | 163066176 |
| LOTUS | LTS0123603 |
| wikiData | Q104957981 |