4-(3-Hydroxypropyl)benzene-1,2-diol
| Internal ID | e5594c3e-4adb-4573-80a5-f527dc8c733f |
| Taxonomy | Benzenoids > Phenols > Benzenediols > Catechols |
| IUPAC Name | 4-(3-hydroxypropyl)benzene-1,2-diol |
| SMILES (Canonical) | C1=CC(=C(C=C1CCCO)O)O |
| SMILES (Isomeric) | C1=CC(=C(C=C1CCCO)O)O |
| InChI | InChI=1S/C9H12O3/c10-5-1-2-7-3-4-8(11)9(12)6-7/h3-4,6,10-12H,1-2,5H2 |
| InChI Key | DPTPQXXDBLPEOP-UHFFFAOYSA-N |
| Popularity | 11 references in papers |
| Molecular Formula | C9H12O3 |
| Molecular Weight | 168.19 g/mol |
| Exact Mass | 168.078644241 g/mol |
| Topological Polar Surface Area (TPSA) | 60.70 Ų |
| XlogP | -0.40 |
| 46118-02-9 |
| 1,2-Benzenediol, 4-(3-hydroxypropyl)- |
| Phenylpropanol impurities |
| MLS000876967 |
| CHEMBL485747 |
| MEGxp0_000680 |
| SCHEMBL1234932 |
| ACon1_001954 |
| DTXSID10459000 |
| DPTPQXXDBLPEOP-UHFFFAOYSA-N |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.63% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.16% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.84% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.42% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.35% | 99.17% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 85.30% | 86.92% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.65% | 94.45% |
| CHEMBL3194 | P02766 | Transthyretin | 84.24% | 90.71% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 82.69% | 96.37% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.61% | 96.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.48% | 86.33% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.11% | 95.93% |
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.
| Calocedrus formosana |
| Taxus baccata |
| PubChem | 11217464 |
| LOTUS | LTS0186978 |
| wikiData | Q82282588 |