Compound Identification
SMILES
Cl.COC1OC(=CC2=C1C(=O)C1=CC=CC=C1C2=O)C(=O)CCN1CCCC1
InChIKey
InChIKey=ZQYCVFJCPDWZTI-UHFFFAOYSA-N
Formula
C21H22ClNO5
Mass
403.86
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Isochromanequinones
- Subclass Benzoisochromanequinones
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Class
Isochromanequinones
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isochromanequinones
Subclass
Benzoisochromanequinones
Intermediate Tree Nodes
Not available
Direct Parent
Benzoisochromanequinones
Alternative Parents
Naphthopyranones Naphthoquinones Aryl ketones Quinones Pyranones and derivatives Beta-amino ketones N-alkylpyrrolidines Trialkylamines Oxacyclic compounds Acetals Azacyclic compounds Aldehydes Hydrochlorides Hydrocarbon derivatives Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoisochromanequinone - Naphthopyranone - Naphthopyran - Naphthoquinone - Naphthalene - Quinone - Aryl ketone - Pyranone - Beta-aminoketone - Pyran - Benzenoid - N-alkylpyrrolidine - Pyrrolidine - Tertiary amine - Tertiary aliphatic amine - Ketone - Organoheterocyclic compound - Acetal - Azacycle - Oxacycle - Hydrochloride - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Amine - Aldehyde - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoisochromanequinones. These are benzo derivatives of isochromanequinones. Isochromanequinones are structurally characterized by a quinone fused to an isochromane, and forming a naphtho[2,3-c]pyran-6,9-dione skeleton.
External Descriptors
Not available