2-(Docos-13-enoylamino)benzoic acid
| Internal ID | 003b5fd0-777c-4b04-b6d3-0d42d88bd237 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Acylaminobenzoic acid and derivatives |
| IUPAC Name | 2-(docos-13-enoylamino)benzoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H47NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-28(31)30-27-24-22-21-23-26(27)29(32)33/h9-10,21-24H,2-8,11-20,25H2,1H3,(H,30,31)(H,32,33) |
| InChI Key | DGSWJRBWJVKGMD-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C29H47NO3 |
| Molecular Weight | 457.70 g/mol |
| Exact Mass | 457.35559436 g/mol |
| Topological Polar Surface Area (TPSA) | 66.40 Ų |
| XlogP | 11.50 |
| 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 | 98.56% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.01% | 98.95% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 94.50% | 87.67% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 93.75% | 92.08% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.80% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.72% | 95.56% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 91.71% | 93.00% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 90.41% | 89.63% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.32% | 99.23% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.88% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.52% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.60% | 96.09% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.91% | 95.50% |
| CHEMBL2321614 | Q9NPC2 | Potassium channel subfamily K member 9 | 85.70% | 80.00% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 84.88% | 97.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.83% | 89.34% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.17% | 86.33% |
| CHEMBL4179 | P45984 | c-Jun N-terminal kinase 2 | 83.54% | 90.75% |
| CHEMBL3891 | P07384 | Calpain 1 | 82.69% | 93.04% |
| CHEMBL5847 | P52895 | Aldo-keto reductase family 1 member C2 | 82.15% | 92.50% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 81.30% | 94.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.93% | 98.75% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.43% | 96.00% |
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.
| Ononis natrix |
| PubChem | 129650517 |
| LOTUS | LTS0052968 |
| wikiData | Q104979264 |