Compound Identification
SMILES
CCC[C@H]1O[C@@H]2CC(=O)O[C@@H]2C23OC12C(=O)C1=C(C=CC=C1O)C3=O.CCC[C@H]1O[C@H](CC(=O)OC)[C@H](O)C2=C1C(=O)C1=C(C=CC=C1O)C2=O
InChIKey
InChIKey=JOMUKFMLAPBGOE-ITJMFZATSA-N
Formula
C37H36O14
Mass
704.681
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Isochromanequinones
- Subclass Benzoisochromanequinones
-
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 Tetralins Furopyrans Quinones Aryl alkyl ketones 1,4-dioxepanes 1-hydroxy-2-unsubstituted benzenoids Pyranones and derivatives 1-hydroxy-4-unsubstituted benzenoids Oxanes Monosaccharides Gamma butyrolactones Vinylogous acids Oxolanes Furans Methyl esters Secondary alcohols Epoxides Dialkyl ethers Monocarboxylic acids and derivatives Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Benzoisochromanequinone - Naphthopyranone - Naphthopyran - Naphthoquinone - Naphthalene - Tetralin - Furopyran - Aryl alkyl ketone - Aryl ketone - Quinone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - 1,4-dioxepane - Dioxepane - Phenol - Pyranone - Pyran - Benzenoid - Monosaccharide - Oxane - Gamma butyrolactone - Furan - Vinylogous acid - Methyl ester - Oxolane - Secondary alcohol - Carboxylic acid ester - Lactone - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Dialkyl ether - Oxirane - Ether - Oxacycle - Organoheterocyclic compound - Alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organic oxide - 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