Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:18:13 UTC |
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Update Date | 2025-03-21 18:35:30 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00105949 |
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Frequency | 25.5 |
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Structure | |
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Chemical Formula | C20H21N3O |
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Molecular Mass | 319.1685 |
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SMILES | C=CC1CN2CCC1CC2C(O)c1ccnc2ccc(C#N)cc12 |
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InChI Key | QVVVFLBAIYZROC-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Kingdom | organic compounds |
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Superclass | alkaloids and derivatives |
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Class | cinchona alkaloids |
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Subclass | cinchona alkaloids |
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Direct Parent | cinchona alkaloids |
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Geometric Descriptor | aromatic heteropolycyclic compounds |
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Alternative Parents | 1,2-aminoalcohols2-halopyridines4-quinolinemethanolsaromatic alcoholsazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesnitrilesorganopnictogen compoundspiperidinespolyhalopyridinesquinuclidinessecondary alcoholstrialkylamines |
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Substituents | aromatic alcoholnitrilepolyhalopyridinequinuclidinearomatic heteropolycyclic compoundcinchonan-skeletonorganonitrogen compoundquinolineorganopnictogen compound2-halopyridinepiperidinecarbonitriletertiary amineorganoheterocyclic compoundalcoholazacycle1,2-aminoalcoholheteroaromatic compoundtertiary aliphatic aminehydroxypyridine4-quinolinemethanolpyridineorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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