Compound Identification
SMILES
C=CCN1CCO[C@H]2[C@H]1CC1=CNC3=CC=CC2=C13
InChIKey
InChIKey=VXTHSCPHKMKXKB-GDBMZVCRSA-N
Formula
C16H18N2O
Mass
254.333
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Oxaergolines
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Oxaergolines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Oxaergolines
Alternative Parents
3-alkylindoles Isoindoles and derivatives Aralkylamines Morpholines Benzenoids Pyrroles Heteroaromatic compounds Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Oxaergoline skeleton - 3-alkylindole - Indole - Indole or derivatives - Isoindole or derivatives - Aralkylamine - Benzenoid - Oxazinane - Morpholine - Pyrrole - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Oxacycle - Dialkyl ether - Ether - Amine - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as oxaergolines. These are alkaloids with a structure based on the oxaergoline skeleton, an analog of ergoline obtained by substituted one of the pyridine C atom by an oxygen atom.
External Descriptors
Not available