RdRP-IN-9
| Internal ID | 99ab759c-9cab-4505-8c38-9d5224a7fff3 |
| Taxonomy | Alkaloids and derivatives > Amaryllidaceae alkaloids > Lycorine-type amaryllidaceae alkaloids |
| IUPAC Name | [(1S,17S,18S,19S)-17-hydroxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,15-tetraen-18-yl] propanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H21NO5/c1-2-16(22)25-19-13(21)5-10-3-4-20-8-11-6-14-15(24-9-23-14)7-12(11)17(19)18(10)20/h5-7,13,17-19,21H,2-4,8-9H2,1H3/t13-,17-,18+,19+/m0/s1 |
| InChI Key | UEHWEXPUCDLSTI-NOENWEJRSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C19H21NO5 |
| Molecular Weight | 343.40 g/mol |
| Exact Mass | 343.14197277 g/mol |
| Topological Polar Surface Area (TPSA) | 68.20 Ų |
| XlogP | 1.00 |
| CHEMBL465296 |
| 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 | 98.70% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.73% | 94.45% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.33% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.26% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.16% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 93.16% | 96.77% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 92.29% | 90.71% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 89.54% | 90.24% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.19% | 97.25% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.88% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.50% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.85% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.23% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.05% | 92.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.36% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.62% | 100.00% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 82.03% | 83.57% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.71% | 97.21% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 81.08% | 98.75% |
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 traubii |
| PubChem | 44570339 |
| LOTUS | LTS0216524 |
| wikiData | Q105270942 |