Compound Identification
SMILES
OC(=O)\C=C/C(O)=O.COC1CCC(CC1)C(=O)OCC1=C[C@H]2[C@@H](CC3=CNC4=CC=CC2=C34)N(C)C1
InChIKey
InChIKey=XZVRLWUAOSOJLW-IBTBUOCJSA-N
Formula
C28H34N2O7
Mass
510.587
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Ergoline and derivatives
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Ergoline and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Ergoline and derivatives
Alternative Parents
Benzoquinolines Pyrroloquinolines 3-alkylindoles Isoindoles and derivatives Aralkylamines Unsaturated fatty acids Benzenoids Dicarboxylic acids and derivatives Pyrroles Heteroaromatic compounds Trialkylamines Carboxylic acid esters Amino acids and derivatives Dialkyl ethers Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Not available
Substituents
Ergoline skeleton - Benzoquinoline - Pyrroloquinoline - 3-alkylindole - Quinoline - Isoindole or derivatives - Indole or derivatives - Indole - Aralkylamine - Dicarboxylic acid or derivatives - Fatty acyl - Fatty acid - Benzenoid - Unsaturated fatty acid - Pyrrole - Heteroaromatic compound - Carboxylic acid ester - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Azacycle - Ether - Organoheterocyclic compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Amine - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as ergoline and derivatives. These are compounds containing an ergoline moiety, which is structurally characterized by he presence of a 4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg] quinoline.
External Descriptors
Not available