Compound Identification
SMILES
COC1=C(O)C=CC(=C1)[C@H]1OC[C@](O)(CC2=CC(OC)=C(O)C(=C2)C2=CC(C[C@@]3(O)CO[C@@H]([C@H]3CO)C3=CC(OC)=C(O)C=C3)=CC(OC)=C2O)[C@@H]1CO
InChIKey
InChIKey=SZBZRBDIQDAGDJ-LPUJSSOASA-N
Formula
C40H46O14
Mass
750.794
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
Linear diarylheptanoids Biphenyls and derivatives Methoxyphenols Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Tertiary alcohols Oxolanes Oxacyclic compounds Dialkyl ethers Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
7,9p-epoxylignan - Linear 1,7-diphenylheptane skeleton - Biphenyl - Methoxyphenol - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Monocyclic benzene moiety - Benzenoid - Tertiary alcohol - Oxolane - Oxacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - 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