(1,12-Dimethoxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-9-yl) 2-methylpropanoate
| Internal ID | f25801c8-24fd-4aaf-9a40-d8210405742f |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | (1,12-dimethoxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-9-yl) 2-methylpropanoate |
| SMILES (Canonical) | CC1=CC2C(C(CC3(C(CC1(O3)OC)OC)C)OC(=O)C(C)C)C(=C)C(=O)O2 |
| SMILES (Isomeric) | CC1=CC2C(C(CC3(C(CC1(O3)OC)OC)C)OC(=O)C(C)C)C(=C)C(=O)O2 |
| InChI | InChI=1S/C21H30O7/c1-11(2)18(22)27-15-9-20(5)16(24-6)10-21(25-7,28-20)12(3)8-14-17(15)13(4)19(23)26-14/h8,11,14-17H,4,9-10H2,1-3,5-7H3 |
| InChI Key | CKIYXPLLXPJWGV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H30O7 |
| Molecular Weight | 394.50 g/mol |
| Exact Mass | 394.19915329 g/mol |
| Topological Polar Surface Area (TPSA) | 80.30 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of (1,12-Dimethoxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-9-yl) 2-methylpropanoate](https://plantaedb.com/storage/docs/compounds/2023/11/9c1adc60-863c-11ee-b3b5-615c2c57d511.jpg "2D Structure of (1,12-Dimethoxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-9-yl) 2-methylpropanoate")
| 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 | 96.23% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.92% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.00% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.41% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.20% | 94.45% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 87.22% | 97.36% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.88% | 91.07% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.10% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.99% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.43% | 97.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.26% | 92.62% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.72% | 95.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.39% | 86.33% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.99% | 96.47% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.84% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.78% | 94.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.19% | 97.25% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.44% | 97.14% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 80.10% | 83.82% |
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.
| Tithonia diversifolia |
| PubChem | 72834932 |
| LOTUS | LTS0123622 |
| wikiData | Q104962413 |