Compound Identification
SMILES
O[C@H]([C@@H](O)C(O)=O)C(O)=O.O[C@H]([C@@H](O)C(O)=O)C(O)=O.CCN(CC)C(=O)[C@H]1CN(C)[C@@H]2CC3=CN(C(C)=O)C4=CC=CC(=C34)C2=C1
InChIKey
InChIKey=QWIVAQYEVJMBCZ-CMXURRDLSA-N
Formula
C30H39N3O14
Mass
665.649
Taxonomic Classification
Taxonomy Tree
-
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
-
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 Isoindoles and derivatives Aralkylamines Sugar acids and derivatives Short-chain hydroxy acids and derivatives Beta hydroxy acids and derivatives Alpha hydroxy acids and derivatives Benzenoids Substituted pyrroles Dicarboxylic acids and derivatives Fatty acids and conjugates Monosaccharides Acetamides Tertiary carboxylic acid amides Heteroaromatic compounds Secondary alcohols Trialkylamines Amino acids and derivatives Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Not available
Substituents
Lysergic acid or derivatives - Indoloquinoline - Benzoquinoline - Quinoline-3-carboxamide - Pyrroloquinoline - Quinoline - 3-alkylindole - Indole - Indole or derivatives - Isoindole or derivatives - Beta-hydroxy acid - Aralkylamine - Short-chain hydroxy acid - Sugar acid - Alpha-hydroxy acid - Dicarboxylic acid or derivatives - Hydroxy acid - Monosaccharide - Fatty acid - Benzenoid - Substituted pyrrole - Tertiary carboxylic acid amide - Pyrrole - Acetamide - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Secondary alcohol - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Alcohol - Amine - Organic oxide - 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