| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:15 UTC |
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| Update Date | 2025-03-25 01:01:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249976 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H21N3O2 |
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| Molecular Mass | 299.1634 |
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| SMILES | COc1ccc2nccc(C(O)C3CC4C(CN4C)N3)c2c1 |
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| InChI Key | CKRMPUVJHCOWCK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | quinolines and derivatives |
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| Subclass | 4-quinolinemethanols |
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| Direct Parent | 4-quinolinemethanols |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,4-diazepanes2-halopyridinesalkyl aryl ethersanisolesaromatic alcoholsazacyclic compoundsazetidinesdialkylaminesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesorganopnictogen compoundspolyhalopyridinespyrrolidinessecondary alcoholstrialkylamines |
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| Substituents | aromatic alcoholphenol etherether1,4-diazepanepolyhalopyridinediazepanealkyl aryl etheraromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridinepyrrolidinetertiary aminealcoholsecondary aliphatic amineazacycleheteroaromatic compoundtertiary aliphatic aminehydroxypyridinemethylpyridine4-quinolinemethanolsecondary amineazetidinepyridineorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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