| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:59:00 UTC |
|---|
| Update Date | 2025-03-25 00:53:18 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02198973 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C27H29N3O3 |
|---|
| Molecular Mass | 443.2209 |
|---|
| SMILES | COc1ccc2nccc(C(O)C3CC4CCN3C(C(O)c3c[nH]c5ccccc35)C4)c2c1 |
|---|
| InChI Key | VFDMXIOJLYUZEY-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | quinolines and derivatives |
|---|
| Subclass | 4-quinolinemethanols |
|---|
| Direct Parent | 4-quinolinemethanols |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1,2-aminoalcohols2-halopyridinesalkyl aryl ethersanisolesaromatic alcoholsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesindolesmethylpyridinesorganopnictogen compoundspiperidinespolyhalopyridinespyrrolesquinuclidinessecondary alcoholstrialkylamines |
|---|
| Substituents | aromatic alcoholphenol etheretherindolepolyhalopyridinequinuclidinealkyl aryl etheraromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridinepiperidinetertiary aminealcoholazacycle1,2-aminoalcoholheteroaromatic compoundtertiary aliphatic aminehydroxypyridineindole or derivativesmethylpyridine4-quinolinemethanolpyridineorganic oxygen compoundanisolepyrrolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
|---|
