Mrv1718007061814522D          

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M  END
> <DATABASE_ID>
DB14476

> <DATABASE_NAME>
drugbank

> <SMILES>
CC(C)CCCC(C)CCCC(C)CCCC1(C)CCC2=C(C)C(O)=C(C)C(C)=C2O1

> <INCHI_IDENTIFIER>
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

> <INCHI_KEY>
GVJHHUAWPYXKBD-UHFFFAOYSA-N

> <FORMULA>
C29H50O2

> <MOLECULAR_WEIGHT>
430.717

> <EXACT_MASS>
430.38108085

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
81

> <JCHEM_AVERAGE_POLARIZABILITY>
56.1786256708737

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-ol

> <ALOGPS_LOGP>
8.84

> <JCHEM_LOGP>
10.507717260000002

> <ALOGPS_LOGS>
-7.79

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.802178125613777

> <JCHEM_PKA_STRONGEST_BASIC>
-4.852614901775799

> <JCHEM_POLAR_SURFACE_AREA>
29.46

> <JCHEM_REFRACTIVITY>
135.37409999999994

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.04e-06 g/l

> <JCHEM_TRADITIONAL_IUPAC>
vita E

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB14476

> <DRUG_GROUPS>
approved; experimental; investigational

> <GENERIC_NAME>
DL-alpha-Tocopherol

> <SYNONYMS>
(+)-alpha-tocopherol; (±)-α-tocopherol; all-rac-alpha-tocopherol; DL-5,7,8-trimethyltocol; DL-alpha tocopherol; DL-α-tocopherol; Vitamin E DL-alpha

> <PRODUCTS>
Advanced E With Non-medicinal Grape Seed Extract; Antiphlamine Coin Plaster; Arepanrix H5n1; CitraNatal Harmony; Eden With Vitamins A, C, and E; Escavite D; Folica BE; Folica-V; P.N. Vitamin-mineral Drink; Prenate DHA; Prenate Essential; Prenate Mini; Quflora FE; Quflora Pediatric; SOLNARA Everything Blood circulation Nattokinase(Control blood pressure and Improve blood circulation); Vitalipid N

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