Compound Identification
SMILES
COC1=CC=C(C=C1)C1OC(C(C1C1=CC=C(OC)C=C1)C1=CC=C(OC)C=C1)C1=CC=C(OC)C=C1
InChIKey
InChIKey=RUUBBTWWNGNKMY-UHFFFAOYSA-N
Formula
C32H32O5
Mass
496.603
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 7,8'-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
7,8'-epoxylignans
Alternative Parents
7,7'-epoxylignans Dibenzylbutane lignans Stilbenes Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Oxolanes Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
7,7p-epoxylignan - 7,8p-epoxylignan - Dibenzylbutane lignan skeleton - Stilbene - Methoxybenzene - Phenol ether - Phenoxy compound - Anisole - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Oxolane - Organoheterocyclic compound - Ether - Dialkyl ether - Oxacycle - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 7,8'-epoxylignans. These are lignans that contain either isomer of the 7,8'-epoxylignan skeleton. The first isomer consists of a tetrahydrofuran that carries a phenyl group at the 2- and the 4-positions, as well as one a methyl group at the 3- and 5-positions. The second isomer consists of a tetrahydrofuran that carries a benzyl group, a phenyl group, and a methyl group at the 2-, 4-, 5-position, respectively.
External Descriptors
Not available