Compound Identification
SMILES
COC1=CC(=CC(OC)=C1O)[C@H]1[C@H]2COC[C@@H]2[C@H](Cl)C2=CC3=C(OCO3)C=C12
InChIKey
InChIKey=QPYFWZCEISYAFX-AFHBHXEDSA-N
Formula
C21H21ClO6
Mass
404.84
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
Furanonaphthodioxoles Tetralins Methoxyphenols Dimethoxybenzenes Benzodioxoles Phenoxy compounds Anisoles Alkyl aryl ethers Oxolanes Oxacyclic compounds Dialkyl ethers Acetals Organochlorides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-aryltetralin lignan - Linear furanonaphthodioxole - Naphthofuran - Methoxyphenol - Tetralin - Dimethoxybenzene - M-dimethoxybenzene - Benzodioxole - Methoxybenzene - Phenol ether - Anisole - Phenoxy compound - Phenol - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Oxolane - Organoheterocyclic compound - Oxacycle - Acetal - Ether - Dialkyl ether - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organochloride - Alkyl halide - Alkyl chloride - Organooxygen compound - 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