2,6-Dimethyl-11,15-dioxo-14-oxatetracyclo[8.8.0.02,7.012,16]octadeca-1(10),12(16)-diene-6-carboxylic acid
| Internal ID | e65c05cd-dd25-406c-8a4d-ae70307bcde4 |
| Taxonomy | Organoheterocyclic compounds > Dihydrofurans > Furanones > Butenolides |
| IUPAC Name | 2,6-dimethyl-11,15-dioxo-14-oxatetracyclo[8.8.0.02,7.012,16]octadeca-1(10),12(16)-diene-6-carboxylic acid |
| SMILES (Canonical) | CC12CCCC(C1CCC3=C2CCC4=C(C3=O)COC4=O)(C)C(=O)O |
| SMILES (Isomeric) | CC12CCCC(C1CCC3=C2CCC4=C(C3=O)COC4=O)(C)C(=O)O |
| InChI | InChI=1S/C20H24O5/c1-19-8-3-9-20(2,18(23)24)15(19)7-5-12-14(19)6-4-11-13(16(12)21)10-25-17(11)22/h15H,3-10H2,1-2H3,(H,23,24) |
| InChI Key | IEYINPWMOVCJIM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H24O5 |
| Molecular Weight | 344.40 g/mol |
| Exact Mass | 344.16237386 g/mol |
| Topological Polar Surface Area (TPSA) | 80.70 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of 2,6-Dimethyl-11,15-dioxo-14-oxatetracyclo[8.8.0.02,7.012,16]octadeca-1(10),12(16)-diene-6-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/0b28ecc0-8580-11ee-b9a3-af2635a76de6.jpg "2D Structure of 2,6-Dimethyl-11,15-dioxo-14-oxatetracyclo[8.8.0.02,7.012,16]octadeca-1(10),12(16)-diene-6-carboxylic acid")
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.18% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.10% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.86% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.28% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.86% | 91.11% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.75% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.73% | 91.19% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.42% | 96.38% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 82.29% | 97.05% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.74% | 96.09% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.73% | 93.03% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.87% | 93.04% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 80.15% | 92.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.13% | 89.00% |
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.
| Salvia digitaloides |
| PubChem | 75230159 |
| LOTUS | LTS0092375 |
| wikiData | Q105112035 |