Compound Identification
SMILES
COCC(=O)N(C(=O)COC)C(=O)C1CC2C(CC3=CNC4=CC=CC2=C34)N(C)C1
InChIKey
InChIKey=JWZRUWGGESNICV-UHFFFAOYSA-N
Formula
C22H27N3O5
Mass
413.474
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
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Class
Ergoline and derivatives
- Subclass Lysergic acids and derivatives
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Class
Ergoline and derivatives
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Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Ergoline and derivatives
Subclass
Lysergic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Lysergic acids and derivatives
Alternative Parents
Indoloquinolines Benzoquinolines Quinoline-3-carboxamides Pyrroloquinolines 3-alkylindoles Piperidinecarboxamides Isoindoles and derivatives Aralkylamines Benzenoids N-substituted carboxylic acid imides Heteroaromatic compounds Dicarboximides Pyrroles Amino acids and derivatives Trialkylamines Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Lysergic acid or derivatives - Indoloquinoline - Benzoquinoline - Quinoline-3-carboxamide - Pyrroloquinoline - 3-alkylindole - Quinoline - Indole - Indole or derivatives - Isoindole or derivatives - 3-piperidinecarboxamide - Piperidinecarboxamide - Aralkylamine - Carboxylic acid imide, n-substituted - Benzenoid - Piperidine - Pyrrole - Heteroaromatic compound - Carboxylic acid imide - Dicarboximide - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Dialkyl ether - Ether - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Amine - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as lysergic acids and derivatives. These are alkaloids with a structure based on the lysergic acid skeleton.
External Descriptors
Not available