Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E0LT2O)
DIG Name
Alpha-tocopherol
Synonyms    Click to Show/Hide the Synonyms of This DIG
alpha-Tocopherol; VITAMIN E; D-alpha-Tocopherol; 59-02-9; 5,7,8-Trimethyltocol; (+)-alpha-Tocopherol; alpha-Vitamin E; Aquasol E; (R,R,R)-alpha-Tocopherol; Phytogermine; Eprolin; a-Tocopherol; (2R,4'R,8'R)-alpha-Tocopherol; dl-a-Tocopherol; Denamone; Viteolin; Esorb; Tocopherol alpha; alpha Tocopherol; 2074-53-5; (2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-4,8,12-TRIMETHYLTRIDECYL]CHROMAN-6-OL; Vitamin Ea; Mixed tocopherols; D-alpha tocopherol; Syntopherol; (R)-2,5,7,8-Tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)chroman-6-ol; Tocopherol (R,S); UNII-N9PR3490H9; CHEBI:18145; (+/-)-alpha-Tocopherol; 2,5,7,8-Tetramethyl-2-(4',8',12'-trimethyltridecyl)-6-chromanol; Evitaminum; Profecundin; Waynecomycin; Almefrol; Emipherol; Epsilan; Etamican; Tokopharm; Vascuals; Vitayonon; Etavit; Ilitia; Evion; 1406-18-4; (2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-ol; BPBio1_000362; Vitaplex E; Eprolin S; Spavit E; ido-E; Endo E; N9PR3490H9; Vita E; Lan-E; Med-E; Antisterility vitamin; MFCD00072045; 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-, (2R)-; Vi-E; E307; DSSTox_CID_6339; DSSTox_RID_78103; DSSTox_GSID_26339; alpha-Tocopherol, D-; Viprimol; alpha-Tokoferol; Vitamin E alpha; Viterra E; E Prolin; (2R)-2-((4R,8R)-4,8,12-trimethyltridecyl)-2,5,7,8-tetramethylchroman-6-ol; CAS-59-02-9; 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, (2R-(2R*(4R*,8R*)))-; 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, [2R-[2R*(4R*,8R*)]]-; SMR000471844; VIV; (+/-)-alpha-Tocopherol, 95%, synthetic; alpha-Tocopherol acid; Tenox GT 1; Rhenogran Ronotec 50; Covitol F 1000; 3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ol; DL-all-rac-alpha-Tocopherol; E 307 (tocopherol); (all-R)-alpha-Tocopherol; Phytogermin; Palmvtee; alpha-Tocoferol; (+-)-Med-E; E-Oil 1000; Vitamin Ealpha; CCRIS 3588; MFCD00072051; a-D-Tocopherol; HSDB 2556; Pheryl-E; Vita plus E; d-..-Tocopherol; NCGC00016688-02; Vitamin E, liquid; (+)--tocopherol; 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-, (2R)-; Prestwick_653; EINECS 200-412-2; EINECS 215-798-8; EINECS 218-197-9; .alpha.-Vitamin E; (+)-a-Tocopherol; NSC 20812; NSC 82623; RRR-alpha-tocopherol; RRR-alpha-tocopheryl; Vitamin E (liquid); Vitamin E [USP]; ()-alpha-Tocopherol; delta-alpha-tocopherol; alpha-delta-Tocopherol; Vitamin E (D-form); CHEMBL47; (R,R,R)-a-Tocopherol; Prestwick3_000404; E 307; (+)-.alpha.-Tocopherol; all-rac-alpha-Tocopherolum; bmse000600; EC 200-412-2; SCHEMBL3097; UNII-H4N855PNZ1; BIDD:PXR0174; D-alpha-Tocopherol, 97+%; BSPBio_000328; MLS001066396; MLS001335981; MLS001335982; BIDD:ER0562; T1539_SIGMA; H4N855PNZ1; DTXSID0026339; (2R,4'R,8'R)-a-Tocopherol; HMS2096A10; HMS2231G08; C29H50O2 (D-alpha-tocopherol); HY-N0683; ZINC4095858; Tox21_110563; Tox21_113208; Tox21_202081; BDBM50458513; LMPR02020001; MFCD00006848; AKOS004910417; CS-8161; DB00163; MCULE-3684036705; NCGC00142625-01; NCGC00142625-04; NCGC00142625-05; NCGC00142625-06; NCGC00142625-07; NCGC00142625-10; NCGC00259630-01; (2R*(4R*,8R*))-(1)-3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-ol; 18920-62-2; AS-13990; M349; P500; ST073358; (+/-)-alpha-Tocopherol (Vitamin E) solution; C02477; d-alpha, d-beta, d-gamma & d-delta tocopherols; Q158348; Q-201932; W-107596; W-109164; 07AA93F0-3339-4EEC-B50B-ADB70F657087; UNII-7QWA1RIO01 component GVJHHUAWPYXKBD-IEOSBIPESA-N; UNII-N53I4V2IA6 component GVJHHUAWPYXKBD-IEOSBIPESA-N; UNII-R0ZB2556P8 component GVJHHUAWPYXKBD-IEOSBIPESA-N; (+)-alpha-Tocopherol, from vegetable oil, Type V, ~1000 IU/g; (2R,4'R,8'R)-2,5,7,8-Tetramethyl-2-(4',8',12'-trimethyltridecyl)-6-chromanol; 3,4-Dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1- -benzopyran-6-ol; (+)-alpha-Tocopherol, Type VI, from vegetable oil, neat (liquid, >=0.88M based on potency, density and molecular wt.), BioReagent, suitable for insect cell culture, >=1000 IU/g; (2R)-3,4-Dihydro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-ol; (R)-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-3,4-dihydro-2H-chromen-6-ol; 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, 2R- 2R*(4R*,8R*) -; 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, (2R*(4R*,8R*))-(+-)- (9CI)
DIG Function
Antimicrobial preservative; Antioxidant
PubChem CID
14985
Formula
C29H50O2
Canonical SMILES
CC1=C(C2=C(CC[C@@](O2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=C1O)C)C
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
InChIKey
GVJHHUAWPYXKBD-IEOSBIPESA-N
   Click to Show/Hide the Molecular Data (Structure/Property) of This DIG
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=14985"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 430.7 Topological Polar Surface Area 29.5
XlogP 10.7 Complexity 503
Heavy Atom Count 31 Rotatable Bond Count 12
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 2
Full List of Active Pharmaceutical Ingredients (APIs) Co-administrated with This DIG
       ICD Disease Classification 02 Benign/in-situ/malignant neoplasm Click to Show/Hide
Prednisolone
 API Info
Multiple myeloma [ICD-11: 2A83]
 [1]
Midostaurin
 API Info
Mastocytosis [ICD-11: 2A21]
 [2]
       ICD Disease Classification 05 Endocrine/nutritional/metabolic disease Click to Show/Hide
Potassium chloride
 API Info
Hypokalemia [ICD-11: 5C77]
 [3]
Omega-3 acid ethyl ester
 API Info
Hypertriglyceridaemia [ICD-11: 5C80]
 [4]
Omega-3 carboxylic acid
 API Info
Hypertriglyceridaemia [ICD-11: 5C80]
 [5]
       ICD Disease Classification 06 Mental/behavioural/neurodevelopmental disorder Click to Show/Hide
Mirtazapine
 API Info
Major depressive disorder [ICD-11: 6A70]
 [6]
       ICD Disease Classification 08 Nervous system disease Click to Show/Hide
Oxymorphone
 API Info
Anaesthesia [ICD-11: 8E22]
 [7]
Tapentadol
 API Info
Neuropathic pain [ICD-11: 8E43]
 [8]
       ICD Disease Classification 12 Respiratory system disease Click to Show/Hide
Sirolimus
 API Info
Lymphangioleiomyomatosis [ICD-11: CB07]
 [9]
       ICD Disease Classification 14 Skin disease Click to Show/Hide
Isotretinoin
 API Info
Acne vulgaris [ICD-11: ED80]
 [10]
Tretinoin
 API Info
Acne vulgaris [ICD-11: ED80]
 [11]
       ICD Disease Classification 15 Musculoskeletal/connective-tissue disease Click to Show/Hide
Cyclosporin A
 API Info
Rheumatoid arthritis [ICD-11: FA20]
 [12]
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      Transferase (TFase)
            DBT Name: Glutathione S-transferase P (GSTP1) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity IC50 = 500 nM (tested by experiment) [13]
                    Tested Species Homo sapiens (Human)
                    UniProt ID GSTP1_HUMAN
References
1 FDA label for approved prednisolone from the official website of the U.S. Food and Drug Administration.
2 FDA label for approved midostaurin from the official website of the U.S. Food and Drug Administration.
3 FDA label for approved potassium chloride from the official website of the U.S. Food and Drug Administration.
4 FDA label for approved omega-3 acid ethyl ester from the official website of the U.S. Food and Drug Administration.
5 FDA label for approved omega-3 carboxylic acid from the official website of the U.S. Food and Drug Administration.
6 FDA label for approved mirtazapine from the official website of the U.S. Food and Drug Administration.
7 FDA label for approved oxymorphone from the official website of the U.S. Food and Drug Administration.
8 FDA label for approved tapentadol from the official website of the U.S. Food and Drug Administration.
9 FDA label for approved sirolimus from the official website of the U.S. Food and Drug Administration.
10 FDA label for approved isotretinoin from the official website of the U.S. Food and Drug Administration.
11 FDA label for approved tretinoin from the official website of the U.S. Food and Drug Administration.
12 FDA label for approved cyclosporin A from the official website of the U.S. Food and Drug Administration.
13 Reviewing Hit Discovery Literature for Difficult Targets: Glutathione Transferase Omega-1 as an Example. J Med Chem. 2018 Sep 13; 61(17):7448-7470.

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