Benzoic acid, 2-(10Z)-heptadecen-1-yl,-6-hydroxy-
| Internal ID | 54d8546b-944d-4c8d-83db-245855f3ac49 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Salicylic acid and derivatives > Salicylic acids |
| IUPAC Name | 2-heptadec-10-enyl-6-hydroxybenzoic acid |
| SMILES (Canonical) | CCCCCCC=CCCCCCCCCCC1=C(C(=CC=C1)O)C(=O)O |
| SMILES (Isomeric) | CCCCCCC=CCCCCCCCCCC1=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/h7-8,17,19-20,25H,2-6,9-16,18H2,1H3,(H,26,27) |
| InChI Key | MBYNDKVOZOAOIS-UHFFFAOYSA-N |
| Popularity | 3 references 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 | 9.60 |
| NCI60_032663 |
| FT-0773273 |
| 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 | 97.91% | 98.95% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 95.94% | 92.08% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 95.07% | 89.63% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.68% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.15% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.80% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.21% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.75% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.40% | 86.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.88% | 93.56% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 87.25% | 97.00% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 85.40% | 96.25% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.17% | 96.95% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 83.41% | 93.31% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.30% | 93.99% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.78% | 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.
| Ginkgo biloba |
| Knema laurina |
| Spondias mombin |
| PubChem | 391579 |
| LOTUS | LTS0139603 |
| wikiData | Q105161042 |