2-Heptadec-1-enyl-6-hydroxybenzoic acid
| Internal ID | f008a692-5a3f-407a-881f-1c7b1b20305d |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Salicylic acid and derivatives > Salicylic acids |
| IUPAC Name | 2-heptadec-1-enyl-6-hydroxybenzoic acid |
| SMILES (Canonical) | CCCCCCCCCCCCCCCC=CC1=C(C(=CC=C1)O)C(=O)O |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCC=CC1=C(C(=CC=C1)O)C(=O)O |
| InChI | InChI=1S/C24H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-19-17-20-22(25)23(21)24(26)27/h16-20,25H,2-15H2,1H3,(H,26,27) |
| InChI Key | KGOSPNJCEHLXHB-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C24H38O3 |
| Molecular Weight | 374.60 g/mol |
| Exact Mass | 374.28209507 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 10.10 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.41% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.64% | 99.17% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 94.30% | 92.08% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.32% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.98% | 86.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.95% | 93.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.92% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.28% | 96.00% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 90.22% | 89.63% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.44% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.41% | 96.09% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 86.44% | 97.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.41% | 90.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.35% | 96.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.38% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.37% | 99.23% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.10% | 93.99% |
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.
| Ginkgo biloba |
| PubChem | 185655 |
| LOTUS | LTS0017092 |
| wikiData | Q105140887 |