Compound Identification
SMILES
COC1=CN=C(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)C=C1
InChIKey
InChIKey=XIRBQLSPZLKLMW-XQXIYPLZSA-N
Formula
C21H24ClNO7
Mass
437.87
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 Alkyl aryl ethers Ketals Pyridines and derivatives Aryl chlorides Oxanes Benzenoids Monosaccharides Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Azacyclic compounds Polyols Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isocoumaran - Isobenzofuran - Alkyl aryl ether - Ketal - Aryl chloride - Aryl halide - Monosaccharide - Oxane - Pyridine - Benzenoid - Heteroaromatic compound - Secondary alcohol - Acetal - Ether - Oxacycle - Polyol - Azacycle - Organochloride - Organohalogen compound - Hydrocarbon derivative - Alcohol - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - 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