3,4-Dihydroxy-5-[(4-hydroxyphenyl)methyl]-1,3-dimethylpyrrolidin-2-one
| Internal ID | c73558fe-da07-46c1-845e-81e7c0146067 |
| Taxonomy | Benzenoids > Phenols > 1-hydroxy-2-unsubstituted benzenoids |
| IUPAC Name | 3,4-dihydroxy-5-[(4-hydroxyphenyl)methyl]-1,3-dimethylpyrrolidin-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C13H17NO4/c1-13(18)11(16)10(14(2)12(13)17)7-8-3-5-9(15)6-4-8/h3-6,10-11,15-16,18H,7H2,1-2H3 |
| InChI Key | BRDPUVOBQMISIO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C13H17NO4 |
| Molecular Weight | 251.28 g/mol |
| Exact Mass | 251.11575802 g/mol |
| Topological Polar Surface Area (TPSA) | 81.00 Ų |
| XlogP | 0.10 |
| There are no found synonyms. |
![2D Structure of 3,4-Dihydroxy-5-[(4-hydroxyphenyl)methyl]-1,3-dimethylpyrrolidin-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/34-dihydroxy-5-4-hydroxyphenylmethyl-13-dimethylpyrrolidin-2-one.jpg "2D Structure of 3,4-Dihydroxy-5-[(4-hydroxyphenyl)methyl]-1,3-dimethylpyrrolidin-2-one")
| 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 | 98.84% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.15% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.15% | 95.56% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 90.33% | 93.10% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 89.16% | 90.93% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.21% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.33% | 90.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.87% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.74% | 86.33% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 83.66% | 90.08% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 81.75% | 89.67% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 81.75% | 85.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.45% | 95.89% |
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.
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| There are no matching plants. |
| PubChem | 75082716 |
| LOTUS | LTS0182560 |
| wikiData | Q103816945 |