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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Quinone and hydroquinone lipids
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Level 5
Vitamin E compounds
- Level 6 Tocopherols
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Level 5
Vitamin E compounds
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Subclass
Quinone and hydroquinone lipids
-
Class
Prenol lipids
-
Superclass
Lipids and lipid-like molecules
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
Diterpenoids 1-benzopyrans Benzothiazoles Aniline and substituted anilines Phenols Alkyl aryl ethers N-substituted imidazoles 2-amino-1,3-thiazoles Heteroaromatic compounds Secondary amines Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives
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