Compound Identification
SMILES
CC(=O)\C=C\C1=C(C)CCCC1(C)C.CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12.CC(C)=CCC\C(C)=C\CC\C(C)=C\CCC1(C)CCC2=CC(O)=CC(C)=C2O1
InChIKey
InChIKey=LXOAXTDLUCLCBA-WLBAFHKQSA-N
Formula
C64H96O8
Mass
993.464
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 Tocotrienols
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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
Tocotrienols
Alternative Parents
Diterpene lactones Diterpenoids Sesquiterpenoids 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Delta valerolactones Fatty acid esters Oxanes Dicarboxylic acids and derivatives Acryloyl compounds Enones Secondary alcohols Ketones Carboxylic acid esters Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Tocotrienol - Diterpene lactone - Diterpenoid - Ionone derivative - Chromane - Benzopyran - 1-benzopyran - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Delta valerolactone - Fatty acid ester - Delta_valerolactone - Phenol - Oxane - Benzenoid - Fatty acyl - Dicarboxylic acid or derivatives - Alpha,beta-unsaturated ketone - Acryloyl-group - Enone - Lactone - Secondary alcohol - Carboxylic acid ester - Ketone - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Ether - Organic oxygen compound - Alcohol - 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