Compound Identification
SMILES
CC(C)=CCC\C(=C\CC\C(C)=C\CCC1(C)OC2=C(C)C(C)=C(O)C=C2C=C1)C(O)=O
InChIKey
InChIKey=CEDDAIQBDLSHBB-HVZPBUQRSA-N
Formula
C28H38O4
Mass
438.608
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Prenol lipids
-
Subclass
Quinone and hydroquinone lipids
-
Level 5
Vitamin E compounds
- Level 6 Tocotrienols
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Level 5
Vitamin E compounds
-
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
Tocotrienols
Alternative Parents
Diterpenoids 1-benzopyrans Medium-chain fatty acids Methyl-branched fatty acids Hydroxy fatty acids Heterocyclic fatty acids Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Unsaturated fatty acids Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Tocotrienol - Diterpenoid - Benzopyran - 1-benzopyran - Medium-chain fatty acid - Branched fatty acid - Alkyl aryl ether - Heterocyclic fatty acid - Hydroxy fatty acid - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Methyl-branched fatty acid - Fatty acyl - Fatty acid - Benzenoid - Unsaturated fatty acid - Monocarboxylic acid or derivatives - Ether - Oxacycle - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as tocotrienols. These are vitamin E derivatives containing an unsaturated trimethyltrideca-3,7,11-trien-1-yl chain attached to the carbon C6 atom of a benzopyran ring system. The differ from tocopherols that contain a saturated trimethyltridecyl chain.
External Descriptors
Not available