| Record Information |
|---|
| HMDB Status | detected |
|---|
| Creation Date | 2024-02-20 23:54:04 UTC |
|---|
| Update Date | 2025-03-21 18:04:05 UTC |
|---|
| HMDB ID | HMDB0242547 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00048318 |
|---|
| Name | (2R,4S,5R)-5-Ethyl-2-[(S)-hydroxy-(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-5-ol |
|---|
| Frequency | 68.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C20H26N2O3 |
|---|
| Molecular Mass | 342.1943 |
|---|
| SMILES | CCC1(O)CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12 |
|---|
| InChI Key | QJYVSAYVZYKUJL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | alkaloids and derivatives |
|---|
| Class | cinchona alkaloids |
|---|
| Subclass | cinchona alkaloids |
|---|
| Direct Parent | cinchona alkaloids |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1,2-aminoalcohols2-halopyridines4-quinolinemethanolsalkyl aryl ethersanisolesaromatic alcoholsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesorganopnictogen compoundspiperidinespolyhalopyridinesquinuclidinessecondary alcoholstertiary alcoholstrialkylamines |
|---|
| Substituents | aromatic alcoholphenol etheretherpolyhalopyridinequinuclidinealkyl aryl etheraromatic heteropolycyclic compoundcinchonan-skeletonorganonitrogen compoundquinolineorganopnictogen compound2-halopyridinepiperidinetertiary amineorganoheterocyclic compoundalcoholazacycle1,2-aminoalcoholheteroaromatic compoundtertiary aliphatic aminehydroxypyridinemethylpyridine4-quinolinemethanoltertiary alcoholpyridineorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
|---|
