Compound Identification
SMILES
COC1=CC(=CC(O)=C1O)[C@@H]1C2=CC(O)=C(OC)C=C2[C@@H](O)[C@H](CO)[C@]1(O)C(O)=O
InChIKey
InChIKey=AEAWUUSSBHHSNE-KUVYRUGBSA-N
Formula
C20H22O10
Mass
422.386
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
Naphthalenecarboxylic acids Tetralins Methoxyphenols Phenoxy compounds Methoxybenzenes Anisoles Catechols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Alpha hydroxy acids and derivatives Tertiary alcohols Secondary alcohols Polyols Monocarboxylic acids and derivatives Carboxylic acids Primary alcohols Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
9,9p-dihydroxyaryltetralin lignan - 2-naphthalenecarboxylic acid - 2-naphthalenecarboxylic acid or derivatives - Methoxyphenol - Tetralin - Phenoxy compound - Phenol ether - Anisole - Methoxybenzene - Catechol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Hydroxy acid - Alpha-hydroxy acid - Benzenoid - Monocyclic benzene moiety - Tertiary alcohol - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Polyol - Ether - Monocarboxylic acid or derivatives - Alcohol - Carbonyl group - Primary alcohol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - 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