Compound Identification
SMILES
COC1=C(OCC2=CC=CC=C2)C=CC(C[C@@H]2[C@H]([C@H](O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)OC2=O)C(SC2=CC=CC=C2)(SC2=CC=CC=C2)C2=CC3=C(OCO3)C=C2)=C1
InChIKey
InChIKey=PVHMGDKLRFGITJ-IFIUSBFESA-N
Formula
C49H52O7S2
Mass
817.07
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
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Level 5
9,9'-epoxylignans
- Level 6 Dibenzylbutyrolactone lignans
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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
9,9'-epoxylignans
Direct Parent
Dibenzylbutyrolactone lignans
Alternative Parents
Lignan lactones Terpene lactones Aromatic monoterpenoids Bicyclic monoterpenoids Menthane monoterpenoids Benzodioxoles Thiophenol ethers Anisoles Phenoxy compounds Methoxybenzenes Alkylarylthioethers Alkyl aryl ethers Dithioketals Gamma butyrolactones Oxolanes Carboxylic acid esters Monocarboxylic acids and derivatives Acetals Oxacyclic compounds Sulfenyl compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzylbutyrolactone - Lignan lactone - Terpene lactone - Aromatic monoterpenoid - Bicyclic monoterpenoid - Monoterpenoid - P-menthane monoterpenoid - Benzodioxole - Phenoxy compound - Aryl thioether - Anisole - Phenol ether - Thiophenol ether - Methoxybenzene - Alkyl aryl ether - Alkylarylthioether - Dithioketal - Monocyclic benzene moiety - Benzenoid - Gamma butyrolactone - Thioacetal - Oxolane - Lactone - Carboxylic acid ester - Acetal - Oxacycle - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organic oxide - Carbonyl group - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as dibenzylbutyrolactone lignans. These are lignan compounds containing a 3,4-dibenzyloxolan-2-one moiety.
External Descriptors
Not available