Methyl 2-(7-ethenyl-5,9-dimethyl-4-oxo-2-propan-2-yl-12-oxatricyclo[5.4.1.01,5]dodeca-2,9-dien-8-yl)acetate
| Internal ID | c678306b-98f0-4950-b3bd-fbcc3b7257d7 |
| Taxonomy | Organoheterocyclic compounds > Tetrahydrofurans |
| IUPAC Name | methyl 2-(7-ethenyl-5,9-dimethyl-4-oxo-2-propan-2-yl-12-oxatricyclo[5.4.1.01,5]dodeca-2,9-dien-8-yl)acetate |
| SMILES (Canonical) | CC1=CCC23C(=CC(=O)C2(CC(C1CC(=O)OC)(O3)C=C)C)C(C)C |
| SMILES (Isomeric) | CC1=CCC23C(=CC(=O)C2(CC(C1CC(=O)OC)(O3)C=C)C)C(C)C |
| InChI | InChI=1S/C21H28O4/c1-7-20-12-19(5)17(22)10-15(13(2)3)21(19,25-20)9-8-14(4)16(20)11-18(23)24-6/h7-8,10,13,16H,1,9,11-12H2,2-6H3 |
| InChI Key | UKAKVYDFSAPWKC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H28O4 |
| Molecular Weight | 344.40 g/mol |
| Exact Mass | 344.19875937 g/mol |
| Topological Polar Surface Area (TPSA) | 52.60 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
![2D Structure of Methyl 2-(7-ethenyl-5,9-dimethyl-4-oxo-2-propan-2-yl-12-oxatricyclo[5.4.1.01,5]dodeca-2,9-dien-8-yl)acetate](https://plantaedb.com/storage/docs/compounds/2023/11/dc778060-8722-11ee-8b65-334ebc68eb5f.jpg "2D Structure of Methyl 2-(7-ethenyl-5,9-dimethyl-4-oxo-2-propan-2-yl-12-oxatricyclo[5.4.1.01,5]dodeca-2,9-dien-8-yl)acetate")
| 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 | 99.07% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.91% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.41% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.55% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.85% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.77% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.77% | 99.17% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 87.44% | 91.07% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 86.00% | 89.67% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.16% | 96.47% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.61% | 93.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.37% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.45% | 95.89% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.29% | 89.34% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.61% | 89.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.42% | 90.71% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 82.13% | 95.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.86% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.96% | 90.00% |
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.
| There are no matching plants. |
| PubChem | 162882632 |
| LOTUS | LTS0104868 |
| wikiData | Q105274390 |