TOCOPHEROL ACETATE


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
Status
Molecule Category	Free-form
UNII	9E8X80D2L0
Parent Compound:


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	ZAKOWWREFLAJOT-ADUHFSDSSA-N
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

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C31H52O3
Molecular Weight	472.75
AlogP	9.06
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	13.0
Polar Surface Area	35.53
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	34.0

Assay Description	Organism	Bioactivity
In vitro inhibitory activity against rat microsomal lipid peroxidation (m-LPO)	Rattus norvegicus	1.0 ug.mL-1
Antioxidant activity in rat liver microsomes assessed as inhibition of lipid peroxide formation after 30 mins	Rattus norvegicus	10.0 ug.mL-1
Inhibition of soybean arachidonate 15-lipoxygenase by oxygen electrode method	Glycine max	10.0 ug.mL-1

Cross References

Resources	Reference
ChEMBL	CHEMBL3989859
FDA SRS	9E8X80D2L0

CONTENTS


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).