1,2-Benzenediol, 4-[(1E)-3-hydroxy-1-propenyl]-
| Internal ID | 8c975e4d-7e0e-42bc-a412-bd2fe95a600a |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamyl alcohols |
| IUPAC Name | 4-(3-hydroxyprop-1-enyl)benzene-1,2-diol |
| SMILES (Canonical) | C1=CC(=C(C=C1C=CCO)O)O |
| SMILES (Isomeric) | C1=CC(=C(C=C1C=CCO)O)O |
| InChI | InChI=1S/C9H10O3/c10-5-1-2-7-3-4-8(11)9(12)6-7/h1-4,6,10-12H,5H2 |
| InChI Key | ZCKDCRKBURQZPT-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C9H10O3 |
| Molecular Weight | 166.17 g/mol |
| Exact Mass | 166.062994177 g/mol |
| Topological Polar Surface Area (TPSA) | 60.70 Ų |
| XlogP | 1.10 |
| SpecPlus_000534 |
| Spectrum2_001614 |
| Spectrum4_001917 |
| KBioGR_002541 |
| KBioSS_002174 |
| DivK1c_006630 |
| SPBio_001647 |
| 1,2-Benzenediol, 4-[(1E)-3-hydroxy-1-propenyl]- |
| KBio1_001574 |
| KBio2_002174 |
| There are more than 10 synonyms. If you wish to see them all click here. |
![2D Structure of 1,2-Benzenediol, 4-[(1E)-3-hydroxy-1-propenyl]-](https://plantaedb.com/storage/docs/compounds/2023/11/12-benzenediol-4-1e-3-hydroxy-1-propenyl-.jpg "2D Structure of 1,2-Benzenediol, 4-[(1E)-3-hydroxy-1-propenyl]-")
| 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 | 98.88% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.69% | 91.49% |
| CHEMBL3194 | P02766 | Transthyretin | 90.58% | 90.71% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 89.83% | 91.71% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.81% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.29% | 86.33% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 85.05% | 96.12% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.50% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.87% | 99.15% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 82.03% | 80.78% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.24% | 90.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.99% | 99.17% |
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.
| Arabidopsis thaliana |
| PubChem | 361171 |
| LOTUS | LTS0266972 |
| wikiData | Q27158873 |