IBD Research Resource Center

BioID	bio23
Name	TOCOPHEROL ACETATE
ChEMBL ID	CHEMBL3989859
Molecular Formula	C31H52O3
Molecular Weight	472.75
Molecular Weight (Monoisotopic)	472.3916
Type	Small molecule
Max Phase	Phase 4
Target ID	Tar11
Target Name	Proto-oncogene c-RAF (c-RAF)
Synonyms	.ALPHA.-TOCOPHEROL ACETATE\|AEC TOCOPHERYL ACETATE\|ALPHA TOCOPHERYL ACETATE\|ALPHA-TOCOPHEROL ACETATE\|COPHEROL 1250 C\|COVITOL 1100 C\|E-TABS\|E-VICOTRAT\|EPHYNAL\|JEEN VITAMIN E\|TINODERM E\|TOCOPHEROL ACETATE\|TOCOPHEROL ACETATE, UNSPECIFIED\|TOCOPHERYL\|TOCOPHERYL ACETATE\|TOCOPHERYL ACETATE,ALPHA\|UNIVIT-E ACETATE\|VITAMIN E ACETATE
Smiles	CC(=O)Oc1c(C)c(C)c2c(c1C)CCC(C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2
Inchi	InChI=1S/C31H52O3/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-31(9)20-18-28-26(7)29(33-27(8)32)24(5)25(6)30(28)34-31/h21-23H,10-20H2,1-9H3/t22-,23-,31?/m1/s1
Inchi Key	ZAKOWWREFLAJOT-ADUHFSDSSA-N
Molecular Species	NEUTRAL
Targets	6.0
Bioactivities	22.0
Np Likeness Score	1.35
Records Key	['Ac-vitamin E', 'Tocopheryl acetate', 'alpha tocopherol acetate', 'TOCOPHEROL ACETATE', 'TOCOPHEROL ACETATE', 'TOCOPHEROL ACETATE', 'Alpha-tocopherol acetate', 'Tocopherol acetate']
Records Name	['Acetic acid 2,5,7,8-tetramethyl-2-(4,8,12-trimethyl-tridecyl)-chroman-6-yl ester', 'Tocopheryl acetate', 'alpha tocopherol acetate', 'TOCOPHEROL ACETATE', 'TOCOPHEROL ACETATE', 'TOCOPHEROL ACETATE', 'Alpha-tocopherol acetate', 'Tocopherol acetate']
Withdrawn Flag	False
Orphan	0