Compound Identification
SMILES
COC1=CC(=CC(CO)=C1O)[C@@H]1[C@@H](CO)[C@H](CO)CC2=CC(OC)=C(O)C(OC)=C12
InChIKey
InChIKey=CGTSAFDVMYVJBN-DHSIGJKJSA-N
Formula
C22H28O8
Mass
420.458
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lignans, neolignans and related compounds
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Class
Aryltetralin lignans
- Subclass 9,9p-dihydroxyaryltetralin lignans
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Class
Aryltetralin lignans
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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 Methoxyphenols Phenoxy compounds Methoxybenzenes Benzyl alcohols Anisoles Alkyl aryl ethers Primary alcohols Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
9,9p-dihydroxyaryltetralin lignan - Methoxyphenol - Tetralin - Phenoxy compound - Anisole - Benzyl alcohol - Methoxybenzene - Phenol ether - Alkyl aryl ether - Phenol - Benzenoid - Monocyclic benzene moiety - Ether - Aromatic alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Alcohol - 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