Compound Identification
SMILES
COC(=O)[C@H](OC(=O)[C@H]1[C@H](O)C2=CC(OC)=C(OC)C=C2[C@@H]([C@@H]1C(=O)O[C@@H](C(=O)OC)C1=CC=CC=C1)C1=CC(OC)=C(OC)C=C1)C1=CC=CC=C1
InChIKey
InChIKey=VBXKBONBNUVSQQ-UWNKZCSISA-N
Formula
C40H40O13
Mass
728.747
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
Tetracarboxylic acids and derivatives Naphthalenecarboxylic acids Tetralins Dimethoxybenzenes Benzyloxycarbonyls Phenoxy compounds Anisoles Beta hydroxy acids and derivatives Alkyl aryl ethers Methyl esters Secondary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
1-aryltetralin lignan - 2-naphthalenecarboxylic acid - 2-naphthalenecarboxylic acid or derivatives - Tetracarboxylic acid or derivatives - O-dimethoxybenzene - Dimethoxybenzene - Tetralin - Benzyloxycarbonyl - Methoxybenzene - Phenoxy compound - Anisole - Phenol ether - Alkyl aryl ether - Beta-hydroxy acid - Benzenoid - Monocyclic benzene moiety - Hydroxy acid - Methyl ester - Secondary alcohol - Carboxylic acid ester - Ether - Carboxylic acid derivative - Alcohol - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homopolycyclic 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