Compound Identification
SMILES
CNC1=CC=CC(CC2=C(Cl)C=C3CO[C@]4(O[C@H]([C@@H](C)O)[C@@H](O)[C@H](O)[C@H]4O)C3=C2)=C1
InChIKey
InChIKey=RORHGKVEXAWFRK-JLYGULHPSA-N
Formula
C22H26ClNO6
Mass
435.9
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Isocoumarans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isocoumarans
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Isocoumarans
Alternative Parents
Isobenzofurans Phenylalkylamines Aniline and substituted anilines Secondary alkylarylamines Ketals Oxanes Monosaccharides Aryl chlorides Secondary alcohols Polyols Oxacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isocoumaran - Isobenzofuran - Phenylalkylamine - Aniline or substituted anilines - Ketal - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Monosaccharide - Oxane - Benzenoid - Secondary alcohol - Acetal - Polyol - Oxacycle - Secondary amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isocoumarans. These are compounds containing the coumaran skeleton, which consists of a benzene ring fused to a 1,3-dihydrofuran ring.
External Descriptors
Not available