[(1S,12S,14R)-9-hydroxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-yl] (3R)-3-hydroxybutanoate
| Internal ID | 4eeca17a-6096-4bd0-b152-dce3ff933119 |
| Taxonomy | Alkaloids and derivatives > Amaryllidaceae alkaloids > Galanthamine-type amaryllidaceae alkaloids |
| IUPAC Name | [(1S,12S,14R)-9-hydroxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-yl] (3R)-3-hydroxybutanoate |
| SMILES (Canonical) | CC(CC(=O)OC1CC2C3(CCNCC4=C3C(=C(C=C4)O)O2)C=C1)O |
| SMILES (Isomeric) | C[C@H](CC(=O)O[C@@H]1C[C@H]2[C@@]3(CCNCC4=C3C(=C(C=C4)O)O2)C=C1)O |
| InChI | InChI=1S/C19H23NO5/c1-11(21)8-16(23)24-13-4-5-19-6-7-20-10-12-2-3-14(22)18(17(12)19)25-15(19)9-13/h2-5,11,13,15,20-22H,6-10H2,1H3/t11-,13+,15+,19+/m1/s1 |
| InChI Key | TYKZEEVHXFAXJZ-UTKHUVCWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H23NO5 |
| Molecular Weight | 345.40 g/mol |
| Exact Mass | 345.15762283 g/mol |
| Topological Polar Surface Area (TPSA) | 88.00 Ų |
| XlogP | 1.30 |
| There are no found synonyms. |
![2D Structure of [(1S,12S,14R)-9-hydroxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-yl] (3R)-3-hydroxybutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/5c0b6040-881e-11ee-9f78-3f5d869ccfa5.jpg "2D Structure of [(1S,12S,14R)-9-hydroxy-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-yl] (3R)-3-hydroxybutanoate")
| 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 | 99.18% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.72% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.95% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.65% | 97.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.03% | 99.15% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.70% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.53% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.28% | 95.89% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 86.66% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.00% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.63% | 99.23% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.76% | 91.19% |
| CHEMBL1907598 | P05106 | Integrin alpha-V/beta-3 | 84.40% | 95.71% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.92% | 97.79% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.73% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.66% | 97.25% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.08% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.95% | 86.33% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.92% | 93.03% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.82% | 96.95% |
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.
| Lycoris sanguinea |
| PubChem | 15214893 |
| LOTUS | LTS0164434 |
| wikiData | Q105267393 |