Ethyl decyl phthalate
| Internal ID | 11941c96-a569-4551-bced-97efa7421d1b |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Benzoic acid esters |
| IUPAC Name | 1-O-ethyl 2-O-octyl benzene-1,2-dicarboxylate |
| SMILES (Canonical) | CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCC |
| SMILES (Isomeric) | CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCC |
| InChI | InChI=1S/C18H26O4/c1-3-5-6-7-8-11-14-22-18(20)16-13-10-9-12-15(16)17(19)21-4-2/h9-10,12-13H,3-8,11,14H2,1-2H3 |
| InChI Key | YPESWEYAJJGHBQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H26O4 |
| Molecular Weight | 306.40 g/mol |
| Exact Mass | 306.18310931 g/mol |
| Topological Polar Surface Area (TPSA) | 52.60 Ų |
| XlogP | 6.00 |
| SCHEMBL6400389 |
| YPESWEYAJJGHBQ-UHFFFAOYSA-N |
| 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 | 95.74% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.61% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.98% | 99.17% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 91.17% | 92.08% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.84% | 94.73% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 89.45% | 87.45% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.41% | 90.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.26% | 86.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.39% | 93.56% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 84.79% | 85.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.79% | 95.56% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 80.81% | 89.63% |
| CHEMBL3891 | P07384 | Calpain 1 | 80.51% | 93.04% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.20% | 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.
| Hovenia dulcis |
| Polyscias bracteata subsp. subincisa |
| Rhodiola chrysanthemifolia subsp. sacra |
| PubChem | 525161 |
| LOTUS | LTS0061215 |
| wikiData | Q105111750 |