Compound Identification
SMILES
OC1=CC=C(C=C1)C1OC(C(C1C(=O)C1=C(O)C=C(O)C=C1)C(=O)C1=C(O)C=C(O)C=C1)C1=CC=C(O)C=C1
InChIKey
InChIKey=MGYYQYIFNBTUAB-UHFFFAOYSA-N
Formula
C30H24O9
Mass
528.513
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 9,9'-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
9,9'-epoxylignans
Alternative Parents
7,9'-epoxylignans 7,7'-epoxylignans Dibenzylbutane lignans Alkyl-phenylketones Resorcinols Benzoyl derivatives Aryl alkyl ketones 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Tetrahydrofurans Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
7,7p-epoxylignan - 7,9p-epoxylignan - 9,9p-epoxylignan - Dibenzylbutane lignan skeleton - Alkyl-phenylketone - Phenylketone - Aryl ketone - Aryl alkyl ketone - Resorcinol - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Tetrahydrofuran - Vinylogous acid - Ketone - Oxacycle - Ether - Dialkyl ether - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic 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