Compound Identification
SMILES
COC1=CC(=O)C2=C(C(O)=C3CC4(C)O[C@H](CC(O4)C3=C2O)C(O)=O)C1=O
InChIKey
InChIKey=HNMWDXUKPJZOQD-XPBDJYBLSA-N
Formula
C18H16O9
Mass
376.317
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Isochromanequinones
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isochromanequinones
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Isochromanequinones
Alternative Parents
Naphthopyranones Naphthoquinones 2-benzopyrans Aryl ketones Quinones Ketals Pyranones and derivatives 1,3-dioxanes Vinylogous esters Vinylogous acids Monocarboxylic acids and derivatives Carboxylic acids Oxacyclic compounds Hydrocarbon derivatives Aldehydes Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isochromanequinone - Naphthopyranone - Naphthopyran - Naphthoquinone - Benzopyran - Isochromane - Naphthalene - 2-benzopyran - Quinone - Aryl ketone - Pyranone - Ketal - Benzenoid - Meta-dioxane - Pyran - Vinylogous acid - Vinylogous ester - Ketone - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Acetal - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organooxygen compound - Organic oxygen compound - Aldehyde - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isochromanequinones. These are polycyclic compounds containing an isochromanequinone, which is 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