Responsive image

Common name


Vitamin E

IUPAC name


(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-ol

SMILES


CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C

Compound class


Antioxidants; Vitamins; Dietary Supplements; Micronutrients; Supplements;

Therapeutic area


Vitamin E, known for its antioxidant activities, is protective against cardiovascular disease and some forms of cancer and has also demonstrated immune-enhancing effects. It may be of limited benefit in some with asthma and rheumatoid arthritis. It may be helpful in some neurological diseases including Alzheimer's, some eye disorders including cataracts, and diabetes and premenstrual syndrome. It may also help protect skin from ultraviolet irradiation although claims that it reverses skin aging, enhances male fertility and exercise performance are poorly supported. It may help relieve some muscle cramps.

Common name


Vitamin E

IUPAC name


(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-ol

SMILES


CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C

INCHI


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

FORMULA


C29H50O2

Responsive image

Common name


Vitamin E

IUPAC name


(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-ol

Molecular weight


430.706

clogP


9.753

clogS


-9.162

HBond Acceptor


2

HBond Donor


1

Total Polar
Surface Area


29.46

Number of Rings


2

Rotatable Bond


12

Drug ID Common name Structure CAS SMILE Frequency
FDBF00007 propane Responsive image C(C)C 0.2412
FDBF00012 isobutane Responsive image C(C)(C)C 0.0611
FDBF00067 butane Responsive image CCCC 0.0680
FDBF00115 2-methylbutane Responsive image C(C)(C)CC 0.0103
FDBF00122 (E)-pent-2-ene Responsive image C(=CCC)C 0.0024
FDBF00123 (E)-4-methylpent-2-ene Responsive image C(=CC(C)C)C 0.0007
FDBF00125 3-methylpentane Responsive image CCC(C)CC 0.0024
FDBF00126 (E)-2-methylhept-3-ene Responsive image C(=CC(C)C)CCC 0.0007
FDBF00127 (3R)-3-methylhexane Responsive image C(C)CC(C)CC 0.0007
FDBF00130 (E)-2,6-dimethylhept-3-ene Responsive image C(=CC(C)C)CC(C)C 0.0003
15 , 2