Compound Identification
SMILES
CCOC1OCC(Cc2ccc3OCOc3c2)C1Cc1cc(OC)c(OC)c(OC)c1
InChIKey
InChIKey=POCFXRQVXBCARH-UHFFFAOYSA-N
Formula
C24H30O7
Mass
430.497
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lignans, neolignans and related compounds
-
Class
Furanoid lignans
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Subclass
Tetrahydrofuran lignans
- Level 5 9,9'-epoxylignans
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Subclass
Tetrahydrofuran lignans
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Class
Furanoid lignans
-
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
9,9'-epoxylignans
Alternative Parents
Benzodioxoles Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Tetrahydrofurans Oxacyclic compounds Acetals Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
9,9p-epoxylignan - Benzodioxole - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Tetrahydrofuran - Organoheterocyclic compound - Ether - Oxacycle - Acetal - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 9,9'-epoxylignans. These are lignans with a structure based on the 9,9'-epoxylignan skeleton, which consists of a tetrahydrofuran that carries two benzyl groups at the 3- and 4-positions. Additionally they are oxygenated at the 2-position to form dibenzylbutyrolactones (oxo group) or a dibenzylbutyrolactols (hydroxyl group).
External Descriptors
Not available