Natural Product (NP) Details

General Information of the NP (ID: NP7488)
Name
Tocotrienols
Synonyms
Tocotrienol; 6829-55-6; Tocotrienols; (R)-3,4-Dihydro-2-methyl-2-(4,8,12-trimethyl-3,7,11-tridecatrienyl)-2H-1-benzopyran-6-ol; CCRIS 7711; CHEMBL120643; SCHEMBL1081622; SCHEMBL1448780; DB12647; NCGC00186586-01; 42152-EP2298776A1; 42152-EP2311808A1; 42152-EP2311829A1; Q27236375; 2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-ol; 2-methyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-1-benzopyran-6-ol; 3,4-Dihydro-2-methyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-2H-1-benzopyran-6-ol
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Species Origin Trachycarpus fortunei ...     Click to Show/Hide
Trachycarpus fortunei
Kingdom: Viridiplantae
Phylum: Streptophyta
Class: Magnoliopsida
Order: Arecales
Family: Arecaceae
Genus: Trachycarpus
Species: Trachycarpus fortunei
Disease Hypertriglyceridaemia [ICD-11: 5C80] Approved [1]
Structure
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2D MOL

3D MOL

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Formula
C26H38O2
PubChem CID
9929901
Canonical SMILES
CC(=CCCC(=CCCC(=CCCC1(CCC2=C(O1)C=CC(=C2)O)C)C)C)C
InChI
1S/C26H38O2/c1-20(2)9-6-10-21(3)11-7-12-22(4)13-8-17-26(5)18-16-23-19-24(27)14-15-25(23)28-26/h9,11,13-15,19,27H,6-8,10,12,16-18H2,1-5H3/b21-11+,22-13+
InChIKey
GJJVAFUKOBZPCB-ZGRPYONQSA-N
CAS Number
CAS 6829-55-6
TTD Drug ID
D03VFL
Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally
    α. A List of Drug(s) Whose Efficacy can be Enhanced by This NP
          Atorvastatin      Cardiovascular disease     Click to Show/Hide the Molecular Data of This Drug
                 Achieving Therapeutic Synergy     Click to Show/Hide
                    Representative Experiment Reporting the Effect of This Combination [2]
                    Detail(s)  Combination Info  click to show the detail info of this combination
                    In-vitro Model HT29 CVCL_A8EZ Colorectal adenocarcinoma Mus musculus
HCT 116 CVCL_0291 Colon carcinoma Homo sapiens
                    Experimental
                    Result(s)		 The synergistic actions of Gamma-T3 and ATST could be attributed to their mediation of 3-hydroxy-3-methyl-glutaryl-CoA reductase, and the subsequent inhibition of protein geranylgeranylation.
Target and Pathway
Target(s) HMG-CoA reductase (HMGCR)  Molecule Info  [3]
BioCyc Superpathway of geranylgeranyldiphosphate biosynthesis I (via mevalonate) Click to Show/Hide
2 Superpathway of cholesterol biosynthesis
3 Mevalonate pathway
KEGG Pathway Terpenoid backbone biosynthesis Click to Show/Hide
2 Metabolic pathways
3 Biosynthesis of antibiotics
4 AMPK signaling pathway
5 Bile secretion
NetPath Pathway IL5 Signaling Pathway Click to Show/Hide
2 TGF_beta_Receptor Signaling Pathway
3 TSH Signaling Pathway
Panther Pathway Cholesterol biosynthesis Click to Show/Hide
Pathwhiz Pathway Steroid Biosynthesis Click to Show/Hide
WikiPathways Statin Pathway Click to Show/Hide
2 Regulation of Lipid Metabolism by Peroxisome proliferator-activated receptor alpha (PPARalpha)
3 Activation of Gene Expression by SREBP (SREBF)
4 SREBF and miR33 in cholesterol and lipid homeostasis
5 Integrated Breast Cancer Pathway
6 SREBP signalling
7 Cholesterol Biosynthesis
References
Reference 1 Vitamin E: tocopherols and tocotrienols as potential radiation countermeasures. J Radiat Res. 2013 Nov 1;54(6):973-88.
Reference 2 Metabolism of tocotrienols in animals and synergistic inhibitory actions of tocotrienols with atorvastatin in cancer cells. Genes Nutr. 2012 Jan;7(1):11-8.
Reference 3 Inhibitory effect of delta-tocotrienol, a HMG CoA reductase inhibitor, on monocyte-endothelial cell adhesion. J Nutr Sci Vitaminol (Tokyo). 2002 Oct;48(5):332-7.
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