Compound Identification
SMILES
ClC1=C2NC=C3C[C@H]4NCCO[C@@H]4C(C=C1)=C23
InChIKey
InChIKey=OXGLWZHBVARQQA-ZWNOBZJWSA-N
Formula
C13H13ClN2O
Mass
248.71
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 Aryl chlorides Pyrroles Heteroaromatic compounds Oxacyclic compounds Dialkylamines Dialkyl ethers Azacyclic compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Oxaergoline skeleton - 3-alkylindole - Indole - Indole or derivatives - Isoindole or derivatives - Aralkylamine - Aryl chloride - Aryl halide - Morpholine - Benzenoid - Oxazinane - Heteroaromatic compound - Pyrrole - Dialkyl ether - Secondary aliphatic amine - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Secondary amine - Organic oxygen compound - Hydrocarbon derivative - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen 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