Compound Identification
SMILES
COC1=C(OCC2=CC=CC=C2)C=CC(=C1)[C@@H]1[C@@H](CO)[C@](O)(CO)CC2=CC(OC)=C(OCC3=CC=CC=C3)C=C12
InChIKey
InChIKey=NCBQKXYLGGCMGM-WEQWWUEYSA-N
Formula
C34H36O7
Mass
556.655
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lignans, neolignans and related compounds
-
Class
Aryltetralin lignans
- Subclass 9,9p-dihydroxyaryltetralin lignans
-
Class
Aryltetralin lignans
-
Superclass
Lignans, neolignans and related compounds
Kingdom
Organic compounds
Superclass
Lignans, neolignans and related compounds
Class
Aryltetralin lignans
Subclass
9,9p-dihydroxyaryltetralin lignans
Intermediate Tree Nodes
Not available
Direct Parent
9,9p-dihydroxyaryltetralin lignans
Alternative Parents
Tetralins Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Tertiary alcohols Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
9,9p-dihydroxyaryltetralin lignan - Tetralin - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Tertiary alcohol - Ether - Organic oxygen compound - Organooxygen compound - Alcohol - Hydrocarbon derivative - Primary alcohol - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as 9,9p-dihydroxyaryltetralin lignans. These are lignans with a structure based on the 1-phenyltetralin skeleton carrying a hydroxyl group at the 9- and the 9'- position.
External Descriptors
Not available