Monohexyl Phthalate
| Internal ID | 9068ae02-143d-4b2a-b4d1-65f71483d781 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Benzoic acid esters |
| IUPAC Name | 2-hexoxycarbonylbenzoic acid |
| SMILES (Canonical) | CCCCCCOC(=O)C1=CC=CC=C1C(=O)O |
| SMILES (Isomeric) | CCCCCCOC(=O)C1=CC=CC=C1C(=O)O |
| InChI | InChI=1S/C14H18O4/c1-2-3-4-7-10-18-14(17)12-9-6-5-8-11(12)13(15)16/h5-6,8-9H,2-4,7,10H2,1H3,(H,15,16) |
| InChI Key | XOSNGXNHDRYFEF-UHFFFAOYSA-N |
| Popularity | 6 references in papers |
| Molecular Formula | C14H18O4 |
| Molecular Weight | 250.29 g/mol |
| Exact Mass | 250.12050905 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 4.20 |
| 24539-57-9 |
| Mono-n-hexyl phthalate |
| 2-hexoxycarbonylbenzoic acid |
| Hexyl hydrogen phthalate |
| 1,2-Benzenedicarboxylic acid, monohexyl ester |
| Phthalic acid mono-n-hexyl ester |
| 2-(Hexyloxycarbonyl)benzoic acid |
| 2-((Hexyloxy)carbonyl)benzoic acid |
| Phthalic Acid Monohexyl Ester |
| 1,2-Benzenedicarboxylic acid, 1-hexyl ester |
| 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 | 96.14% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.95% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.31% | 99.17% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 92.77% | 94.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.56% | 86.33% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 90.17% | 92.08% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.91% | 90.17% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.14% | 93.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.87% | 93.56% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 83.91% | 87.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.22% | 95.56% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.68% | 95.50% |
| CHEMBL3891 | P07384 | Calpain 1 | 81.30% | 93.04% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.47% | 94.73% |
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.
| Lactuca indica |
| Nepeta eriostachya |
| Taraxacum japonicum |
| PubChem | 90532 |
| LOTUS | LTS0088370 |
| wikiData | Q105249503 |