Compound Identification
SMILES
OC([C@@H]1O[C@@H]([C@@H](CC(=O)C2=CC=CC=C2)[C@@H]1C(=O)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=VJKNEAJIKRWNHN-JDDRLXJUSA-N
Formula
C32H28O4
Mass
476.572
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
Furanoid lignans
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Subclass
Tetrahydrofuran lignans
- Level 5 7,9'-epoxylignans
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Subclass
Tetrahydrofuran lignans
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Class
Furanoid lignans
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Superclass
Lignans, neolignans and related compounds
Kingdom
Organic compounds
Superclass
Lignans, neolignans and related compounds
Class
Furanoid lignans
Subclass
Tetrahydrofuran lignans
Intermediate Tree Nodes
Not available
Direct Parent
7,9'-epoxylignans
Alternative Parents
7,8'-epoxylignans Alkyl-phenylketones Benzoyl derivatives Aryl alkyl ketones Oxolanes Secondary alcohols Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
7,9p-epoxylignan - 7,8p-epoxylignan - Alkyl-phenylketone - Phenylketone - Benzoyl - Aryl alkyl ketone - Aryl ketone - Monocyclic benzene moiety - Benzenoid - Oxolane - Ketone - Secondary alcohol - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Alcohol - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic alcohol - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 7,9'-epoxylignans. These are lignans that contain the 7,9'-epoxylignan skeleton, which consists of a tetrahydrofuran that carries a phenyl group, a methyl group, and a benzyl group at the 2-, 3-, 4-position, respectively.
External Descriptors
Not available