2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethyl 3-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate
| Internal ID | 8afd02fa-3989-4169-8862-121286736f2c |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | 2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethyl 3-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate |
| SMILES (Canonical) | C1CC2C(CCN2C1)COC(=O)C=CC3=CC=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O |
| SMILES (Isomeric) | C1CC2C(CCN2C1)COC(=O)C=CC3=CC=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O |
| InChI | InChI=1S/C23H31NO8/c25-12-18-20(27)21(28)22(29)23(32-18)31-16-6-3-14(4-7-16)5-8-19(26)30-13-15-9-11-24-10-1-2-17(15)24/h3-8,15,17-18,20-23,25,27-29H,1-2,9-13H2 |
| InChI Key | VRWXOVDCMDXQDO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H31NO8 |
| Molecular Weight | 449.50 g/mol |
| Exact Mass | 449.20496695 g/mol |
| Topological Polar Surface Area (TPSA) | 129.00 Ų |
| XlogP | 1.00 |
| There are no found synonyms. |
![2D Structure of 2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethyl 3-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/25ef4f70-86b3-11ee-92a3-593c724be44d.jpg "2D Structure of 2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethyl 3-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate")
| 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 |
|---|---|---|---|---|
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 98.35% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.49% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.19% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 93.48% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.42% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.53% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.30% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.02% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.10% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.98% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.94% | 95.56% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 87.02% | 95.93% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 85.65% | 95.83% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 84.33% | 94.00% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 81.99% | 89.67% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 81.68% | 86.92% |
| CHEMBL264 | Q9Y5N1 | Histamine H3 receptor | 81.00% | 91.43% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.08% | 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.
| Borago officinalis |
| PubChem | 74029857 |
| LOTUS | LTS0005460 |
| wikiData | Q105292021 |