[2-[(5,6-Dimethylcyclohexa-1,5-dien-1-yl)methyl]-4-methylfuran-3-yl]methyl 2-methylbut-2-enoate
| Internal ID | 1c3c3584-6764-411e-9b18-0177f2aff15a |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters |
| IUPAC Name | [2-[(5,6-dimethylcyclohexa-1,5-dien-1-yl)methyl]-4-methylfuran-3-yl]methyl 2-methylbut-2-enoate |
| SMILES (Canonical) | CC=C(C)C(=O)OCC1=C(OC=C1C)CC2=CCCC(=C2C)C |
| SMILES (Isomeric) | CC=C(C)C(=O)OCC1=C(OC=C1C)CC2=CCCC(=C2C)C |
| InChI | InChI=1S/C20H26O3/c1-6-13(2)20(21)23-12-18-15(4)11-22-19(18)10-17-9-7-8-14(3)16(17)5/h6,9,11H,7-8,10,12H2,1-5H3 |
| InChI Key | UJGRCUGTCSQZMV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H26O3 |
| Molecular Weight | 314.40 g/mol |
| Exact Mass | 314.18819469 g/mol |
| Topological Polar Surface Area (TPSA) | 39.40 Ų |
| XlogP | 3.80 |
| There are no found synonyms. |
![2D Structure of [2-[(5,6-Dimethylcyclohexa-1,5-dien-1-yl)methyl]-4-methylfuran-3-yl]methyl 2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/2-56-dimethylcyclohexa-15-dien-1-ylmethyl-4-methylfuran-3-ylmethyl-2-methylbut-2-enoate.jpg "2D Structure of [2-[(5,6-Dimethylcyclohexa-1,5-dien-1-yl)methyl]-4-methylfuran-3-yl]methyl 2-methylbut-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 | 97.24% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.76% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.65% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.50% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.04% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.79% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.70% | 98.95% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 86.86% | 85.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.93% | 90.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.11% | 95.50% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.10% | 96.09% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.35% | 97.21% |
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.
| Euryops hebecarpus |
| Euryops jacksonii |
| PubChem | 162909878 |
| LOTUS | LTS0065591 |
| wikiData | Q105273925 |