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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
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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
Curcuminoids Diterpenoids Hydroxycinnamic acids and derivatives 1-benzopyrans Methoxyphenols Styrenes Anisoles Phenoxy compounds Methoxybenzenes Beta-diketones 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Enones Acryloyl compounds Ketones Oxacyclic compounds Hydrocarbon derivatives Organic oxides
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