Methyl 4-(3,7-dimethyl-5-oxoocta-2,6-dienoxy)-3-methoxybenzoate
| Internal ID | 38fee514-2b4b-4632-b763-65472ffed44f |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Methoxybenzoic acids and derivatives > M-methoxybenzoic acids and derivatives |
| IUPAC Name | methyl 4-(3,7-dimethyl-5-oxoocta-2,6-dienoxy)-3-methoxybenzoate |
| SMILES (Canonical) | CC(=CC(=O)CC(=CCOC1=C(C=C(C=C1)C(=O)OC)OC)C)C |
| SMILES (Isomeric) | CC(=CC(=O)CC(=CCOC1=C(C=C(C=C1)C(=O)OC)OC)C)C |
| InChI | InChI=1S/C19H24O5/c1-13(2)10-16(20)11-14(3)8-9-24-17-7-6-15(19(21)23-5)12-18(17)22-4/h6-8,10,12H,9,11H2,1-5H3 |
| InChI Key | UYJJBSCMLVMHNL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H24O5 |
| Molecular Weight | 332.40 g/mol |
| Exact Mass | 332.16237386 g/mol |
| Topological Polar Surface Area (TPSA) | 61.80 Ų |
| XlogP | 3.90 |
| 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 |
|---|---|---|---|---|
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.90% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.00% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 94.11% | 90.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.23% | 96.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 92.05% | 98.75% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 91.20% | 90.20% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.06% | 86.33% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 88.80% | 97.21% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.99% | 94.73% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.28% | 96.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.18% | 91.11% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.82% | 91.07% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 81.73% | 90.24% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.98% | 94.33% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.96% | 95.50% |
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.
| Trichocolea tomentella |
| PubChem | 54378673 |
| LOTUS | LTS0042619 |
| wikiData | Q105281523 |