[8-Acetyloxy-12-(acetyloxymethyl)-4,8-dimethyl-7,13-dioxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-11-en-10-yl] 2-(hydroxymethyl)prop-2-enoate
| Internal ID | 4fc7e1eb-196a-41b8-b3e5-b038c0818a1d |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | [8-acetyloxy-12-(acetyloxymethyl)-4,8-dimethyl-7,13-dioxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-11-en-10-yl] 2-(hydroxymethyl)prop-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H28O11/c1-11(9-24)20(28)31-15-8-23(5,33-13(3)26)16(27)6-7-22(4)19(34-22)18-17(15)14(21(29)32-18)10-30-12(2)25/h15,18-19,24H,1,6-10H2,2-5H3 |
| InChI Key | ATMQBEVBIJMHNY-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C23H28O11 |
| Molecular Weight | 480.50 g/mol |
| Exact Mass | 480.16316171 g/mol |
| Topological Polar Surface Area (TPSA) | 155.00 Ų |
| XlogP | -0.70 |
| There are no found synonyms. |
![2D Structure of [8-Acetyloxy-12-(acetyloxymethyl)-4,8-dimethyl-7,13-dioxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-11-en-10-yl] 2-(hydroxymethyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/7a05a390-863c-11ee-92c0-5357cad24b67.jpg "2D Structure of [8-Acetyloxy-12-(acetyloxymethyl)-4,8-dimethyl-7,13-dioxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-11-en-10-yl] 2-(hydroxymethyl)prop-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.71% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.11% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.79% | 97.25% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 91.50% | 98.03% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.24% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.06% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.68% | 99.23% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.58% | 94.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.58% | 97.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.38% | 91.19% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.61% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.44% | 98.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.75% | 92.62% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.67% | 82.69% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.57% | 99.17% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.43% | 97.79% |
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.
| Hilliardiella smithiana |
| Vernonia colorata |
| PubChem | 162957696 |
| LOTUS | LTS0081349 |
| wikiData | Q104918547 |