Compound Identification
SMILES
COC1CC(C)(O)C(OC2CCC(OC(=O)C(C)C(O)C3=CC4=C(C=C3)C(=O)C(C)=CC4=O)C(C)O2)C(C)O1
InChIKey
InChIKey=WKPRFUUJRPTUIF-UHFFFAOYSA-N
Formula
C29H38O10
Mass
546.613
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Naphthalenes
- Subclass Naphthoquinones
-
Class
Naphthalenes
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Naphthalenes
Subclass
Naphthoquinones
Intermediate Tree Nodes
Not available
Direct Parent
Naphthoquinones
Alternative Parents
O-glycosyl compounds Aryl ketones Quinones Beta hydroxy acids and derivatives Fatty acid esters Oxanes Monosaccharides Tertiary alcohols Carboxylic acid esters Secondary alcohols Monocarboxylic acids and derivatives Acetals Oxacyclic compounds Aromatic alcohols Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Naphthoquinone - Glycosyl compound - O-glycosyl compound - Quinone - Aryl ketone - Beta-hydroxy acid - Fatty acid ester - Fatty acyl - Oxane - Hydroxy acid - Monosaccharide - Tertiary alcohol - Carboxylic acid ester - Secondary alcohol - Ketone - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Acetal - Monocarboxylic acid or derivatives - Alcohol - Aromatic alcohol - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as naphthoquinones. These are compounds containing a naphthohydroquinone moiety, which consists of a benzene ring linearly fused to a bezene-1,4-dione (quinone).
External Descriptors
Not available