4-Hydroxymandelonitrile
| Internal ID | 6925bf27-07bd-4758-b711-f9633eb87ce5 |
| Taxonomy | Benzenoids > Phenols > 1-hydroxy-2-unsubstituted benzenoids |
| IUPAC Name | 2-hydroxy-2-(4-hydroxyphenyl)acetonitrile |
| SMILES (Canonical) | C1=CC(=CC=C1C(C#N)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1C(C#N)O)O |
| InChI | InChI=1S/C8H7NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H |
| InChI Key | HOOOPXDSCKBLFG-UHFFFAOYSA-N |
| Popularity | 61 references in papers |
| Molecular Formula | C8H7NO2 |
| Molecular Weight | 149.15 g/mol |
| Exact Mass | 149.047678466 g/mol |
| Topological Polar Surface Area (TPSA) | 64.20 Ų |
| XlogP | 0.70 |
| 13093-65-7 |
| 2-hydroxy-2-(4-hydroxyphenyl)acetonitrile |
| DL-4-Hydroxymandelonitrile |
| p-hydroxymandelonitrile |
| para-Hydroxymandelonitrile |
| alpha,4-Dihydroxybenzeneacetonitrile |
| 4-hydroxybenzaldehyde cyanonhydrin |
| hydroxy(4-hydroxyphenyl)acetonitrile |
| Benzeneacetonitrile, alpha,4-dihydroxy- |
| 6851-36-1 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 |
|---|---|---|---|---|
| CHEMBL242 | Q92731 | Estrogen receptor beta | 95.26% | 98.35% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.43% | 91.11% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.47% | 98.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.93% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.66% | 98.95% |
| CHEMBL2093869 | P05106 | Integrin alpha-IIb/beta-3 | 83.80% | 95.42% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.49% | 90.00% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 81.50% | 93.10% |
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.
| Sorghum bicolor |
| PubChem | 166768 |
| LOTUS | LTS0089489 |
| wikiData | Q27102830 |