Compound Identification
SMILES
OC(=O)CCC(O)=O.CN1CC(C)=CC2C1CC1=CNC3=CC=CC2=C13
InChIKey
InChIKey=JSVZRUPIHCKGSK-UHFFFAOYSA-N
Formula
C20H24N2O4
Mass
356.422
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
Benzoquinolines Pyrroloquinolines 3-alkylindoles Isoindoles and derivatives Aralkylamines Dicarboxylic acids and derivatives Benzenoids Pyrroles Heteroaromatic compounds Trialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Clavine skeleton - Benzoquinoline - Pyrroloquinoline - 3-alkylindole - Quinoline - Isoindole or derivatives - Indole or derivatives - Indole - Aralkylamine - Benzenoid - Dicarboxylic acid or derivatives - Heteroaromatic compound - Pyrrole - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - 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