2,4-Dihydroxy-6-(8-pentadecenyl)benzoic acid
| Internal ID | 31053562-d348-4d55-8e9e-d1fa3cce774c |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Hydroxybenzoic acid derivatives |
| IUPAC Name | 2,4-dihydroxy-6-pentadec-8-enylbenzoic acid |
| SMILES (Canonical) | CCCCCCC=CCCCCCCCC1=C(C(=CC(=C1)O)O)C(=O)O |
| SMILES (Isomeric) | CCCCCCC=CCCCCCCCC1=C(C(=CC(=C1)O)O)C(=O)O |
| InChI | InChI=1S/C22H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16-19(23)17-20(24)21(18)22(25)26/h7-8,16-17,23-24H,2-6,9-15H2,1H3,(H,25,26) |
| InChI Key | ACSAQPSTIMIXGH-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) | 77.80 Ų |
| XlogP | 8.20 |
| 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 | 97.43% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.21% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.69% | 91.11% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 95.65% | 92.08% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 92.37% | 89.63% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.46% | 96.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 91.19% | 96.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.61% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.81% | 86.33% |
| CHEMBL3194 | P02766 | Transthyretin | 87.81% | 90.71% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 87.74% | 97.29% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.41% | 95.56% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 86.21% | 94.42% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 86.03% | 97.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.30% | 90.71% |
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 speciosa |
| PubChem | 69423606 |
| LOTUS | LTS0081738 |
| wikiData | Q104909264 |