3-Heptadecylphenol
| Internal ID | 6f505824-c70a-4d9a-a5ee-1fe626f177a5 |
| Taxonomy | Benzenoids > Phenols > 1-hydroxy-4-unsubstituted benzenoids |
| IUPAC Name | 3-heptadecylphenol |
| SMILES (Canonical) | CCCCCCCCCCCCCCCCCC1=CC(=CC=C1)O |
| SMILES (Isomeric) | CCCCCCCCCCCCCCCCCC1=CC(=CC=C1)O |
| InChI | InChI=1S/C23H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22-19-17-20-23(24)21-22/h17,19-21,24H,2-16,18H2,1H3 |
| InChI Key | UFAKFKCECWXXFP-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C23H40O |
| Molecular Weight | 332.60 g/mol |
| Exact Mass | 332.307915895 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 10.50 |
| 78636-94-9 |
| 3-heptadecyl phenol |
| NSC229597 |
| SCHEMBL17727863 |
| DTXSID20310653 |
| LMPK15010005 |
| NSC-229597 |
| 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 | 98.95% | 98.95% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 98.00% | 92.08% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.25% | 96.09% |
| CHEMBL240 | Q12809 | HERG | 93.23% | 89.76% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.94% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.35% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.05% | 94.73% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.47% | 91.11% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 86.68% | 93.31% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.16% | 91.49% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 83.46% | 96.25% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 82.04% | 91.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.38% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.65% | 98.75% |
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.
| Schistochila appendiculata |
| Searsia thyrsiflora |
| Tapirira obtusa |
| PubChem | 313882 |
| LOTUS | LTS0044002 |
| wikiData | Q82059716 |