Structure Information
Structure

Compound Identification

SMILES

COC1=C(O)C=CC(\C=C\C(=O)CC(=O)\C=C\C2=CC(OC)=C(O)C=C2)=C1.CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(C)C(O)=C(C)C(C)=C2O1

InChIKey

InChIKey=KQPDQOKNMZUPME-NAZDCMOVSA-N

Formula

C50H70O8

Mass

799.102

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Quinone and hydroquinone lipids

Intermediate Tree Nodes

Vitamin E compounds

Direct Parent

Tocopherols

Alternative Parents

Molecular Framework

Not available

Substituents

Tocopherol - Curcumin - Diterpenoid - Linear 1,7-diphenylheptane skeleton - Hydroxycinnamic acid or derivatives - Cinnamic acid or derivatives - Methoxyphenol - Chromane - 1-benzopyran - Benzopyran - Phenoxy compound - Anisole - Phenol ether - Styrene - Methoxybenzene - Phenol - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - 1,3-diketone - Monocyclic benzene moiety - 1,3-dicarbonyl compound - Benzenoid - Acryloyl-group - Alpha,beta-unsaturated ketone - Enone - Ketone - Organoheterocyclic compound - Oxacycle - Ether - Organooxygen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as tocopherols. These are vitamin E derivatives containing a saturated trimethyltridecyl chain attached to the carbon C6 atom of a benzopyran ring system. The differ from tocotrienols that contain an unsaturated trimethyltrideca-3,7,11-trien-1-yl chain.

External Descriptors

Not available

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