Compound Identification
SMILES
OC(=O)\C=C/C(O)=O.CC(C)N1C=C2C[C@@H]3[C@H](C=C(CO)CN3C)C3=C2C1=CC=C3
InChIKey
InChIKey=QPFFQZDRVXHLLG-VQAQLOKVSA-N
Formula
C23H28N2O5
Mass
412.486
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
Benzoquinolines Pyrroloquinolines 3-alkylindoles N-alkylindoles Isoindoles and derivatives Aralkylamines Unsaturated fatty acids Substituted pyrroles Benzenoids Dicarboxylic acids and derivatives 1,3-aminoalcohols Heteroaromatic compounds Trialkylamines Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Primary alcohols
Molecular Framework
Not available
Substituents
Clavine skeleton - Benzoquinoline - Pyrroloquinoline - N-alkylindole - Quinoline - 3-alkylindole - Indole - Indole or derivatives - Isoindole or derivatives - Aralkylamine - Dicarboxylic acid or derivatives - Fatty acyl - Substituted pyrrole - Unsaturated fatty acid - Fatty acid - Benzenoid - Pyrrole - Heteroaromatic compound - 1,3-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Amine - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Primary alcohol - Alcohol - Organic nitrogen compound - Carbonyl group - 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