Structure Information
Structure

Compound Identification

SMILES

CCC(CC)C(N1C=CN=C1)C1=CC=C(NC2=NC3=CC=CC=C3S2)C=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=NEPMWHMJTBLYQC-WTCAIEHQSA-N

Formula

C51H74N4O2S

Mass

807.24

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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 - Diterpenoid - Chromane - Benzopyran - 1-benzopyran - 1,3-benzothiazole - Aniline or substituted anilines - Alkyl aryl ether - Phenol - 1,3-thiazol-2-amine - Benzenoid - Monocyclic benzene moiety - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Thiazole - Oxacycle - Ether - Azacycle - Organoheterocyclic compound - Secondary amine - Amine - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - 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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