Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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