Compound Identification
SMILES
COC(CO)[C@@H]1CC2[C@@H](CC3CNC4=CC=CC2=C34)N(C)C1
InChIKey
InChIKey=HNVGYCBCWFDPPO-MIZLEEOUSA-N
Formula
C18H26N2O2
Mass
302.418
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class 6,7-secoergolines
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
6,7-secoergolines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
6,7-secoergolines
Alternative Parents
Ergoline and derivatives Benzoquinolines Tetralins Isoindoles and derivatives Indolines Secondary alkylarylamines Aralkylamines Piperidines Trialkylamines Dialkyl ethers Azacyclic compounds Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
6,7-secoergoline - Ergoline skeleton - Benzoquinoline - Tetralin - Quinoline - Indole or derivatives - Dihydroindole - Isoindole or derivatives - Aralkylamine - Secondary aliphatic/aromatic amine - Benzenoid - Piperidine - Tertiary aliphatic amine - Tertiary amine - Dialkyl ether - Ether - Azacycle - Organoheterocyclic compound - Secondary amine - Amine - Alcohol - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Primary alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 6,7-secoergolines. These are compounds containing a tricyclic ergoline analog, where carbon atoms C6 and C7 are not linked to each other.
External Descriptors
Not available