3-Undecylresorcinol
| Internal ID | 94961a0f-845c-4c07-9784-5e86b83b483d |
| Taxonomy | Benzenoids > Phenol ethers |
| IUPAC Name | 3-undecoxyphenol |
| SMILES (Canonical) | CCCCCCCCCCCOC1=CC=CC(=C1)O |
| SMILES (Isomeric) | CCCCCCCCCCCOC1=CC=CC(=C1)O |
| InChI | InChI=1S/C17H28O2/c1-2-3-4-5-6-7-8-9-10-14-19-17-13-11-12-16(18)15-17/h11-13,15,18H,2-10,14H2,1H3 |
| InChI Key | NLMBOMZCRKYRNI-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C17H28O2 |
| Molecular Weight | 264.40 g/mol |
| Exact Mass | 264.208930132 g/mol |
| Topological Polar Surface Area (TPSA) | 29.50 Ų |
| XlogP | 6.90 |
| CHEMBL448186 |
| SCHEMBL22207445 |
| 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 |
|---|---|---|---|---|
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 97.62% | 92.08% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.26% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.01% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.02% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.95% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.91% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.65% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.60% | 91.49% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 87.50% | 94.62% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 86.72% | 93.31% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.23% | 93.56% |
| CHEMBL240 | Q12809 | HERG | 86.00% | 89.76% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 85.77% | 92.68% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 83.94% | 100.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.67% | 98.75% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 81.58% | 80.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.53% | 95.56% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 80.66% | 98.35% |
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.
| Aegiceras corniculatum |
| PubChem | 44559529 |
| LOTUS | LTS0233643 |
| wikiData | Q105181428 |