Compound Identification
SMILES
NC1=NC2=C(S1)C=C(OC(F)(F)F)C=C2.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=OSRIFBQRTILKCH-WTCAIEHQSA-N
Formula
C37H55F3N2O3S
Mass
664.91
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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
Diterpenoids 1-benzopyrans Benzothiazoles Phenol ethers Phenols Alkyl aryl ethers 2-amino-1,3-thiazoles Heteroaromatic compounds Trihalomethanes Oxacyclic compounds Azacyclic compounds Primary amines Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Not available
Substituents
Tocopherol - Diterpenoid - Chromane - Benzopyran - 1-benzopyran - 1,3-benzothiazole - Phenol ether - Alkyl aryl ether - Phenol - Benzenoid - 1,3-thiazol-2-amine - Heteroaromatic compound - Thiazole - Azole - Trihalomethane - Organoheterocyclic compound - Oxacycle - Azacycle - Ether - Primary amine - Organofluoride - Organohalogen compound - Organonitrogen compound - Halomethane - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Alkyl halide - Alkyl fluoride - 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