2-(2,8,15-Trihydroxy-5,5-dimethyl-7-oxo-14-oxatetracyclo[7.6.1.01,6.013,16]hexadecan-11-yl)prop-2-enal
| Internal ID | 041196d2-148b-4a2b-aaeb-a7d1cd1ff0a9 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 2-(2,8,15-trihydroxy-5,5-dimethyl-7-oxo-14-oxatetracyclo[7.6.1.01,6.013,16]hexadecan-11-yl)prop-2-enal |
| SMILES (Canonical) | CC1(CCC(C23C1C(=O)C(C4C2C(CC(C4)C(=C)C=O)OC3O)O)O)C |
| SMILES (Isomeric) | CC1(CCC(C23C1C(=O)C(C4C2C(CC(C4)C(=C)C=O)OC3O)O)O)C |
| InChI | InChI=1S/C20H28O6/c1-9(8-21)10-6-11-14-12(7-10)26-18(25)20(14)13(22)4-5-19(2,3)17(20)16(24)15(11)23/h8,10-15,17-18,22-23,25H,1,4-7H2,2-3H3 |
| InChI Key | FRSFYLCYQPJEMS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H28O6 |
| Molecular Weight | 364.40 g/mol |
| Exact Mass | 364.18858861 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 0.70 |
| There are no found synonyms. |
![2D Structure of 2-(2,8,15-Trihydroxy-5,5-dimethyl-7-oxo-14-oxatetracyclo[7.6.1.01,6.013,16]hexadecan-11-yl)prop-2-enal](https://plantaedb.com/storage/docs/compounds/2023/11/3abf2400-838a-11ee-86cb-b947a82963d3.jpg "2D Structure of 2-(2,8,15-Trihydroxy-5,5-dimethyl-7-oxo-14-oxatetracyclo[7.6.1.01,6.013,16]hexadecan-11-yl)prop-2-enal")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.81% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.47% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.20% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.96% | 97.09% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 86.94% | 96.09% |
| CHEMBL1871 | P10275 | Androgen Receptor | 86.48% | 96.43% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.83% | 89.00% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 84.91% | 80.96% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.75% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.92% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.62% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.22% | 86.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.18% | 91.19% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.14% | 92.62% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.98% | 99.23% |
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.
| Isodon rubescens |
| PubChem | 162861860 |
| LOTUS | LTS0101308 |
| wikiData | Q105000404 |