Compound Identification
SMILES
COC1=C(C)C=C2C(O)C(CO)[C@H]([C@H](C3=CC=CC=C3)C2=C1)C(O)=O
InChIKey
InChIKey=FIAJVODPXXGBPW-KNCVXQGMSA-N
Formula
C20H22O5
Mass
342.391
Taxonomic Classification
Taxonomy Tree
-
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
-
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
Naphthalenecarboxylic acids Tetralins Anisoles Alkyl aryl ethers Benzene and substituted derivatives Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
9,9p-dihydroxyaryltetralin lignan - 2-naphthalenecarboxylic acid - 2-naphthalenecarboxylic acid or derivatives - Tetralin - Anisole - Phenol ether - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Secondary alcohol - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - 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