[7-[(2,3-dihydroxy-2-methylbutanoyl)oxymethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl] 2-hydroxybenzoate
| Internal ID | 58fba205-f600-4fdf-ad7d-f0f5bc2ce234 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Benzoic acid esters > o-Hydroxybenzoic acid esters |
| IUPAC Name | [7-[(2,3-dihydroxy-2-methylbutanoyl)oxymethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl] 2-hydroxybenzoate |
| SMILES (Canonical) | CC(C(C)(C(=O)OCC1CCN2C1C(CC2)OC(=O)C3=CC=CC=C3O)O)O |
| SMILES (Isomeric) | CC(C(C)(C(=O)OCC1CCN2C1C(CC2)OC(=O)C3=CC=CC=C3O)O)O |
| InChI | InChI=1S/C20H27NO7/c1-12(22)20(2,26)19(25)27-11-13-7-9-21-10-8-16(17(13)21)28-18(24)14-5-3-4-6-15(14)23/h3-6,12-13,16-17,22-23,26H,7-11H2,1-2H3 |
| InChI Key | HQNBAGWQDKKAMY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H27NO7 |
| Molecular Weight | 393.40 g/mol |
| Exact Mass | 393.17875220 g/mol |
| Topological Polar Surface Area (TPSA) | 117.00 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of [7-[(2,3-dihydroxy-2-methylbutanoyl)oxymethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl] 2-hydroxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/c1644c50-85e4-11ee-ba92-3b65827aa8a8.jpg "2D Structure of [7-[(2,3-dihydroxy-2-methylbutanoyl)oxymethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl] 2-hydroxybenzoate")
| 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 | 99.25% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.45% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.88% | 83.82% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.60% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.10% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.75% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.54% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.31% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.06% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.78% | 94.45% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 87.58% | 95.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.48% | 98.75% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.17% | 93.03% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.61% | 96.47% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 84.15% | 90.24% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.10% | 97.14% |
| CHEMBL5028 | O14672 | ADAM10 | 83.33% | 97.50% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.79% | 100.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.87% | 92.88% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.46% | 93.56% |
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.
| Ipomoea hederifolia |
| PubChem | 162958043 |
| LOTUS | LTS0133998 |
| wikiData | Q105032321 |