(2R,3R,4R,5S)-2-(3,4-dimethoxyphenyl)-1,5-dimethylpyrrolidine-3,4-diol
| Internal ID | 8f9abc2c-ee25-4a7c-9c5a-7e2956f2617d |
| Taxonomy | Organoheterocyclic compounds > Pyrrolidines > Phenylpyrrolidines |
| IUPAC Name | (2R,3R,4R,5S)-2-(3,4-dimethoxyphenyl)-1,5-dimethylpyrrolidine-3,4-diol |
| SMILES (Canonical) | CC1C(C(C(N1C)C2=CC(=C(C=C2)OC)OC)O)O |
| SMILES (Isomeric) | C[C@H]1[C@H]([C@@H]([C@H](N1C)C2=CC(=C(C=C2)OC)OC)O)O |
| InChI | InChI=1S/C14H21NO4/c1-8-13(16)14(17)12(15(8)2)9-5-6-10(18-3)11(7-9)19-4/h5-8,12-14,16-17H,1-4H3/t8-,12+,13+,14+/m0/s1 |
| InChI Key | WCNPJVPXLWJQIR-OKVQYTGBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H21NO4 |
| Molecular Weight | 267.32 g/mol |
| Exact Mass | 267.14705815 g/mol |
| Topological Polar Surface Area (TPSA) | 62.20 Ų |
| XlogP | 0.70 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.99% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.17% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.60% | 98.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.72% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.03% | 86.33% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 87.74% | 83.82% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.78% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.65% | 95.89% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.36% | 89.62% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.15% | 97.21% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.09% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.96% | 96.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.44% | 95.89% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 81.20% | 96.86% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.09% | 92.94% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 80.89% | 88.48% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.16% | 90.71% |
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.
| Codonopsis clematidea |
| PubChem | 933141 |
| LOTUS | LTS0053448 |
| wikiData | Q105301905 |