EcoDrugPlus


Synonyms	(r,r,r)-.gamma.-tocopherol .gamma.-tocopherol 7,8-dimethyltocol Gamma tocopherol Gamma-tocopherol J213.540J O-xylotocopherol Rrr-.gamma.-tocopherol
Status
Molecule Category	Free-form
UNII	8EF1Z1238F
EPA CompTox	DTXSID9049031


InChI Key	QUEDXNHFTDJVIY-DQCZWYHMSA-N
Smiles	Cc1c(O)cc2c(c1C)O[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CC2
InChI	InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h19-22,29H,8-18H2,1-7H3/t21-,22-,28-/m1/s1

Property Name	Value
Molecular Formula	C28H48O2
Molecular Weight	416.69
AlogP	8.53
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	12.0
Polar Surface Area	29.46
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	30.0

Resources	Reference
ChEBI	18185
ChEMBL	CHEMBL2151591
DrugBank	DB15394
FDA SRS	8EF1Z1238F
KEGG	C02483
SureChEMBL	SCHEMBL120346
ZINC	ZINC000004284471

EcoDrug+ was developed under the PREMIER 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 EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

GAMMA-TOCOPHEROL

Structure

Physicochemical Descriptors

Related Entries

Cross References