Compound Identification
SMILES
CCCN1C[C@H](CO)CC2[C@H]1CC1=C(CCO)NC3=CC=CC2=C13
InChIKey
InChIKey=LSOBDQFJBQPZEL-LGRPBYAZSA-N
Formula
C20H28N2O2
Mass
328.456
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
-
Class
Ergoline and derivatives
- Subclass Clavines and derivatives
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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
Indoloquinolines Benzoquinolines Pyrroloquinolines 3-alkylindoles Isoindoles and derivatives Aralkylamines Substituted pyrroles Piperidines Benzenoids Heteroaromatic compounds 1,3-aminoalcohols Trialkylamines Azacyclic compounds Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Clavine skeleton - Indoloquinoline - Benzoquinoline - Pyrroloquinoline - 3-alkylindole - Quinoline - Indole - Indole or derivatives - Isoindole or derivatives - Aralkylamine - Piperidine - Benzenoid - Substituted pyrrole - Pyrrole - 1,3-aminoalcohol - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Azacycle - Alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen 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