Compound Identification
SMILES
COC(=O)[C@H]1[C@@H]2CON=C2C2=CC3=C(OCO3)C=C2[C@H]1C1=CC(OC)=C(O)C(OC)=C1
InChIKey
InChIKey=SLKFRQBHJVWFOC-BKTGTZMESA-N
Formula
C22H21NO8
Mass
427.409
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lignans, neolignans and related compounds
- Class Aryltetralin lignans
-
Superclass
Lignans, neolignans and related compounds
Kingdom
Organic compounds
Superclass
Lignans, neolignans and related compounds
Class
Aryltetralin lignans
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Aryltetralin lignans
Alternative Parents
Naphthalenecarboxylic acids Tetralins Dimethoxybenzenes Methoxyphenols Benzodioxoles Phenoxy compounds Anisoles Alkyl aryl ethers Methyl esters Isoxazolines Monocarboxylic acids and derivatives Oxacyclic compounds Acetals Azacyclic compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-aryltetralin lignan - 2-naphthalenecarboxylic acid - 2-naphthalenecarboxylic acid or derivatives - Methoxyphenol - Tetralin - Dimethoxybenzene - M-dimethoxybenzene - Benzodioxole - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Phenol - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Methyl ester - Isoxazoline - Carboxylic acid ester - Azacycle - Oxacycle - Acetal - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as aryltetralin lignans. These are lignans with a structure based on the 1-phenyltetralin skeleton.
External Descriptors
Not available