Compound Identification
SMILES
CC1=[N+](C=C2C3=C(C[C@@H](O3)C(C)(C)O)C=CC2=C1)[C@@H](CO)C([O-])=O
InChIKey
InChIKey=MGBWJZUUFPUYEF-LSDHHAIUSA-N
Formula
C18H21NO5
Mass
331.368
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoquinolines and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Isoquinolines and derivatives
Alternative Parents
Alpha amino acids and derivatives Coumarans Alkyl aryl ethers Beta hydroxy acids and derivatives Methylpyridines Pyridinium derivatives Benzenoids Tertiary alcohols Heteroaromatic compounds Carboxylic acid salts Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic salts Organic zwitterions Organonitrogen compounds Organopnictogen compounds Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Isoquinoline - Coumaran - Alkyl aryl ether - Beta-hydroxy acid - Methylpyridine - Hydroxy acid - Pyridine - Pyridinium - Benzenoid - Heteroaromatic compound - Tertiary alcohol - Carboxylic acid salt - Azacycle - Carboxylic acid derivative - Oxacycle - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic salt - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Primary alcohol - Alcohol - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic zwitterion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.
External Descriptors
Not available