Apteniol A
| Internal ID | 02978d28-b07e-4010-ba64-5eb285b87f28 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Diphenylethers |
| IUPAC Name | 3-[4-[4-(2-carboxyethyl)phenoxy]phenyl]propanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H18O5/c19-17(20)11-5-13-1-7-15(8-2-13)23-16-9-3-14(4-10-16)6-12-18(21)22/h1-4,7-10H,5-6,11-12H2,(H,19,20)(H,21,22) |
| InChI Key | UKCHMOVWJBXLBX-UHFFFAOYSA-N |
| Popularity | 7 references in papers |
| Molecular Formula | C18H18O5 |
| Molecular Weight | 314.30 g/mol |
| Exact Mass | 314.11542367 g/mol |
| Topological Polar Surface Area (TPSA) | 83.80 Ų |
| XlogP | 3.00 |
| 13655-10-2 |
| 3-[4-[4-(2-carboxyethyl)phenoxy]phenyl]propanoic Acid |
| 3-{4-[4-(2-carboxyethyl)phenoxy]phenyl}propanoic acid |
| CHEMBL2269135 |
| SCHEMBL16431559 |
| 4,4'-oxybis[3-phenylpropionic acid] |
| AKOS040694305 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.42% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.22% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.25% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.87% | 90.17% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 86.73% | 94.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.43% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.16% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.80% | 91.11% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 85.72% | 86.92% |
| CHEMBL2216739 | Q92523 | Carnitine O-palmitoyltransferase 1, muscle isoform | 85.57% | 88.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.64% | 95.56% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 82.67% | 94.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.68% | 95.50% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 80.43% | 90.20% |
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.
| Mesembryanthemum cordifolium |
| PubChem | 11645332 |
| LOTUS | LTS0212079 |
| wikiData | Q77564796 |