Hexyl octyl phthalate
| Internal ID | 4569832f-2361-44d5-bdf9-3d6cd4761431 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Benzoic acid esters |
| IUPAC Name | 1-O-hexyl 2-O-octyl benzene-1,2-dicarboxylate |
| SMILES (Canonical) | CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC |
| SMILES (Isomeric) | CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC |
| InChI | InChI=1S/C22H34O4/c1-3-5-7-9-10-14-18-26-22(24)20-16-12-11-15-19(20)21(23)25-17-13-8-6-4-2/h11-12,15-16H,3-10,13-14,17-18H2,1-2H3 |
| InChI Key | LZCTXAGBGKLUBX-UHFFFAOYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C22H34O4 |
| Molecular Weight | 362.50 g/mol |
| Exact Mass | 362.24570956 g/mol |
| Topological Polar Surface Area (TPSA) | 52.60 Ų |
| XlogP | 8.00 |
| 61827-62-1 |
| 1,2-Benzenedicarboxylic acid, hexyl octyl ester |
| 1-O-hexyl 2-O-octyl benzene-1,2-dicarboxylate |
| 1,2-Benzenedicarboxylic acid, 1-hexyl 2-octyl ester |
| 1,2-BENZENEDICARBOXYLIC ACID HEXYL OCTYL ESTER |
| Phthalic acid, hexyl octyl ester |
| EINECS 263-255-9 |
| phthalic acid hexyl octyl ester |
| SCHEMBL7537789 |
| DTXSID9069508 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 96.21% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.94% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.12% | 99.17% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 91.56% | 92.08% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.09% | 90.17% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 88.78% | 87.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.54% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.82% | 94.73% |
| CHEMBL3891 | P07384 | Calpain 1 | 82.60% | 93.04% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 81.89% | 85.94% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.01% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.00% | 95.56% |
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.
| Eleutherococcus sessiliflorus |
| PubChem | 112746 |
| LOTUS | LTS0085560 |
| wikiData | Q63409577 |