2-(3-Hydroxy-2,4-dimethylhex-1-enyl)-2,7-dimethyl-5-propanoyl-1-benzofuran-3-one
| Internal ID | a6598a7a-a7a5-443f-8c13-b41518895800 |
| Taxonomy | Organoheterocyclic compounds > Benzofurans |
| IUPAC Name | 2-(3-hydroxy-2,4-dimethylhex-1-enyl)-2,7-dimethyl-5-propanoyl-1-benzofuran-3-one |
| SMILES (Canonical) | CCC(C)C(C(=CC1(C(=O)C2=C(O1)C(=CC(=C2)C(=O)CC)C)C)C)O |
| SMILES (Isomeric) | CCC(C)C(C(=CC1(C(=O)C2=C(O1)C(=CC(=C2)C(=O)CC)C)C)C)O |
| InChI | InChI=1S/C21H28O4/c1-7-12(3)18(23)14(5)11-21(6)20(24)16-10-15(17(22)8-2)9-13(4)19(16)25-21/h9-12,18,23H,7-8H2,1-6H3 |
| InChI Key | RTTRWDZCXCRSLT-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) | 63.60 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 97.14% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.82% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.46% | 89.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 91.19% | 96.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 90.96% | 97.21% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.39% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.81% | 86.33% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 86.90% | 89.34% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.88% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.10% | 99.17% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 82.09% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.92% | 95.56% |
| CHEMBL260 | Q16539 | MAP kinase p38 alpha | 81.90% | 97.78% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.17% | 90.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.35% | 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 | 85188939 |
| LOTUS | LTS0100176 |
| wikiData | Q104196931 |