Compound Identification
SMILES
CN[C@@H]1CC2=CNC3=CC=CC([C@H]1\C=C(\C)CO)=C23.CNC1CC2=CNC3=CC=CC(C1\C=C(/C)CO)=C23
InChIKey
InChIKey=AWWTXEXUMJWYFI-NSVSRHANSA-N
Formula
C32H40N4O2
Mass
512.698
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
-
Class
Ergoline and derivatives
- Subclass Clavines and derivatives
-
Class
Ergoline and derivatives
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Ergoline and derivatives
Subclass
Clavines and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Clavines and derivatives
Alternative Parents
3-alkylindoles Isoindoles and derivatives Aralkylamines Benzenoids Pyrroles Heteroaromatic compounds Dialkylamines Azacyclic compounds Primary alcohols Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Chanoclavine skeleton - 3-alkylindole - Indole - Indole or derivatives - Isoindole or derivatives - Aralkylamine - Benzenoid - Pyrrole - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Secondary amine - Secondary aliphatic amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Amine - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as clavines and derivatives. These are hydroxy and dehydro derivatives of 6,8-dimethylergolenes and the corresponding ergolines.
External Descriptors
Not available