Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)[C@H]1[C@@H](C(CO)C(O)C2=CC(C)=C(OC)C=C12)C(O)=O
InChIKey
InChIKey=ZUDWHOYSAXIVEQ-LDEVPTQISA-N
Formula
C22H26O7
Mass
402.443
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 Dimethoxybenzenes Phenoxy compounds Anisoles Alkyl aryl ethers 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 - Dimethoxybenzene - O-dimethoxybenzene - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Secondary alcohol - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Primary alcohol - Alcohol - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - 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