methyl 6-[3-(4-hydroxy-3-methoxyphenyl)propanoyloxy]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate
| Internal ID | d69dd803-8570-40c1-8c51-137e4be24440 |
| Taxonomy | Benzenoids > Phenols > Methoxyphenols |
| IUPAC Name | methyl 6-[3-(4-hydroxy-3-methoxyphenyl)propanoyloxy]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate |
| SMILES (Canonical) | COC1=C(C=CC(=C1)CCC(=O)OC2CC3C(CCN3C2)C(=O)OC)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)CCC(=O)OC2CC3C(CCN3C2)C(=O)OC)O |
| InChI | InChI=1S/C19H25NO6/c1-24-17-9-12(3-5-16(17)21)4-6-18(22)26-13-10-15-14(19(23)25-2)7-8-20(15)11-13/h3,5,9,13-15,21H,4,6-8,10-11H2,1-2H3 |
| InChI Key | GHHWIUJHEXDOEU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H25NO6 |
| Molecular Weight | 363.40 g/mol |
| Exact Mass | 363.16818752 g/mol |
| Topological Polar Surface Area (TPSA) | 85.30 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of methyl 6-[3-(4-hydroxy-3-methoxyphenyl)propanoyloxy]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/d3e9cf10-86cd-11ee-8289-ebedd3f982e8.jpg "2D Structure of methyl 6-[3-(4-hydroxy-3-methoxyphenyl)propanoyloxy]-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate")
| 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 | 99.24% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.91% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.49% | 94.45% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 94.49% | 95.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.00% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.93% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.98% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.50% | 91.19% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.72% | 97.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.49% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.63% | 98.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.29% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.72% | 95.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.69% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.56% | 90.71% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.44% | 92.62% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.26% | 92.94% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.02% | 94.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.95% | 85.14% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 81.60% | 100.00% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 81.08% | 91.79% |
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.
| Amphorogyne spicata |
| Peperomia trineura |
| PubChem | 72979835 |
| LOTUS | LTS0082325 |
| wikiData | Q105332058 |