| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:39:13 UTC |
|---|
| Update Date | 2025-03-25 00:46:13 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02154026 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C17H20N2O2 |
|---|
| Molecular Mass | 284.1525 |
|---|
| SMILES | COc1ccc2ccnc(C(O)C3CC4CCN3C4)c2c1 |
|---|
| InChI Key | OBSUASOBJLWLPG-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | isoquinolines and derivatives |
|---|
| Subclass | isoquinolines and derivatives |
|---|
| Direct Parent | isoquinolines and derivatives |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1,2-aminoalcohols2-halopyridinesalkyl aryl ethersanisolesaromatic alcoholsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesn-alkylpyrrolidinesorganopnictogen compoundspiperidinespolyhalopyridinessecondary alcoholstrialkylamines |
|---|
| Substituents | aromatic alcoholphenol etheretherpolyhalopyridinealkyl aryl etheraromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridinepyrrolidinepiperidinetertiary aminealcoholazacyclen-alkylpyrrolidine1,2-aminoalcoholheteroaromatic compoundtertiary aliphatic aminehydroxypyridinemethylpyridinepyridineorganic oxygen compoundanisoleisoquinolinesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
|---|
