tocotrienol

tocotrienol
Compound Structure:
Synonyms: Tocotrienols; 6829-55-6 ;CCRIS 7711; UNII-0867I0N41V
Compound ID: NMPC-1541
PubChem ID:

9929901

Molecular Formula: C26H38O2
Canonical SMILES: CC(=CCCC(=CCCC(=CCCC1(CCC2=C(O1)C=CC(=C2)O)C)C)C)C
InChIKey: GJJVAFUKOBZPCB-ZGRPYONQSA-N
About the compound:

Tocotrienol is any of the four forms, alpha, beta, gamma and delta, of a member of the vitamin E family, with potential hypocholesterolemic, antithrombotic, antioxidant, immunomodulating and antineoplastic activities. Tocotrienol inhibits the activity of 3-hydroxy-3-methylglutaryl coenzyme A (HMG-CoA) reductase, thereby lowering cholesterol levels. In addition, tocotrienol acts through multiple signal transduction pathways to induce cell cycle arrest and caspase-mediated apoptosis, and to decrease tumor cell proliferation. In addition, this agent may inhibit angiogenesis through the blockage of vascular endothelial growth factor receptor (VEGFR) and the subsequent inhibition of tumor cell-induced vessel formation. Also, this agent prevents free radical formation and inhibits lipid peroxidation, thereby preventing DNA cell damage. Tocotrienolfarnesylisoprenoid side chains contain 3 double bonds, which are absent in tocopherols, likely contribute to its anti-cancer activities.

Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

382.6 g/mol

XLogP3-AA

8.2

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

9

Exact Mass

382.287180451 g/mol

Monoisotopic Mass

382.287180451 g/mol

Topological Polar Surface Area

29.5Ų

Heavy Atom Count

28

Formal Charge

0

Complexity

567

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

1

Defined Bond Stereocenter Count

2

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source:PubChem

Source Species: Garcinia kola
Lonchocarpus cyanescens
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