2-Hydroxy-6-pentadeca-8,11,14-trienylbenzoic acid
| Internal ID | 4c02ba7d-fd95-4a50-8b3a-d45b72611e36 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Salicylic acid and derivatives > Salicylic acids |
| IUPAC Name | 2-hydroxy-6-pentadeca-8,11,14-trienylbenzoic acid |
| SMILES (Canonical) | C=CCC=CCC=CCCCCCCCC1=C(C(=CC=C1)O)C(=O)O |
| SMILES (Isomeric) | C=CCC=CCC=CCCCCCCCC1=C(C(=CC=C1)O)C(=O)O |
| InChI | InChI=1S/C22H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h2,4-5,7-8,15,17-18,23H,1,3,6,9-14,16H2,(H,24,25) |
| InChI Key | QUVGEKPNSCFQIR-UHFFFAOYSA-N |
| Popularity | 112 references in papers |
| Molecular Formula | C22H30O3 |
| Molecular Weight | 342.50 g/mol |
| Exact Mass | 342.21949481 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 7.60 |
| 2-hydroxy-6-pentadeca-8,11,14-trienylbenzoic acid |
| CHEBI:181219 |
| NCI60_012890 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.49% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.30% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.96% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.97% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.73% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.21% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.03% | 96.09% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 86.80% | 96.25% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 86.26% | 90.20% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.64% | 93.99% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.85% | 96.00% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 81.74% | 97.00% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 81.42% | 83.57% |
| CHEMBL3891 | P07384 | Calpain 1 | 80.53% | 93.04% |
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.
| Anacardium occidentale |
| PubChem | 152243 |
| LOTUS | LTS0040980 |
| wikiData | Q104196229 |