VIV

(2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-4,8,12-TRIMETHYLTRIDECYL]CHROMAN-6-OL

Created: 2003-11-04
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count81
Chiral Atom Count3
Bond Count82
Aromatic Bond Count6
2D diagram of VIV
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Chemical Component Summary

Name(2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-4,8,12-TRIMETHYLTRIDECYL]CHROMAN-6-OL
Systematic Name (OpenEye OEToolkits)(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-ol
FormulaC29 H50 O2
Molecular Weight430.706
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04Oc2c(c(c1OC(CCc1c2C)(C)CCCC(C)CCCC(C)CCCC(C)C)C)C
SMILESCACTVS3.341CC(C)CCC[CH](C)CCC[CH](C)CCC[C]1(C)CCc2c(C)c(O)c(C)c(C)c2O1
SMILESOpenEye OEToolkits1.5.0Cc1c(c2c(c(c1O)C)CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C
Canonical SMILESCACTVS3.341 CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1
Canonical SMILESOpenEye OEToolkits1.5.0 Cc1c(c2c(c(c1O)C)CC[C@@](O2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C
InChIInChI1.03 InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m1/s1
InChIKeyInChI1.03 GVJHHUAWPYXKBD-IEOSBIPESA-N

Drug Info: DrugBank

DrugBank IDDB00163 
NameVitamin E
Groups
  • nutraceutical
  • approved
  • vet_approved
DescriptionIn 1922, vitamin E was demonstrated to be an essential nutrient[A32448]. Vitamin E is a term used to describe 8 different fat soluble tocopherols and tocotrienols, alpha-tocopherol being the most biologically active[A176104]. Vitamin E acts as an antioxidant, protecting cell membranes from oxidative damage[A176104]. The antioxidant effects are currently being researched for use in the treatment of diseases causing bone loss, cardiovascular diseases, diabetes mellitus and associated comorbidities, eye diseases, inflammatory diseases (including skin conditions), lipid disorders, neurological diseases, and radiation damage[A176369]. Though this research is so far inconclusive, vitamin E remains a popular supplement and is generally considered safe by the FDA[FDA Label].
Synonyms
  • alpha-tocopherol
  • Vitamin E
  • 5,7,8-trimethyltocol
  • d-α-tocopherol
  • (2R,4'R,8'R)-α-tocopherol
Brand Names
  • Multipack II
  • Se-Plete DHA
  • Kimchi Vitamin chewable multivitamin
  • Vitafol Caplet
  • C-Nate DHA
IndicationVitamin E supplementation is indicated for treatment of vitamin E deficiency which can occur in cystic fibrosis, cholestasis and severe liver disease, abetalipoproteinemia or simply poor diet[A176104,L3063].
Categories
  • Antioxidants
  • Basic Ointments and Protectants
  • Benzopyrans
  • Biological Factors
  • Compounds used in a research, industrial, or household setting
CAS number59-02-9

Drug Targets

NameTarget SequencePharmacological ActionActions
SEC14-like protein 4MSSRVGDLSPQQQEALARFRENLQDLLPILPNADDYFLLRWLRARNFDLQ...unknown
SEC14-like protein 3MSGRVGDLSPKQAETLAKFRENVQDVLPALPNPDDYFLLRWLRARNFDLQ...unknown
SEC14-like protein 2MSGRVGDLSPRQKEALAKFRENVQDVLPALPNPDDYFLLRWLRARSFDLQ...unknown
Nuclear receptor subfamily 1 group I member 2MEVRPKESWNHADFVHCEDTESVPGKPSVNADEEVGGPQICRVCGDKATG...unknown
Protein kinase C beta typeMADPAAGPPPSEGEESTVRFARKGALRQKNVHEVKNHKFTARFFKQPTFC...unknown
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Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
Pharos CHEMBL47
PubChem 14985
ChEMBL CHEMBL47
ChEBI CHEBI:18145