tocopherol

Synonyms: "cumotocopherol", "neotocopherol", "p-xylotocopherol", "5,8-dimethyltocol"

Source: tocopherol is a naturally occurring chemical found in a variety of foods.

Identifiers:

IUPAC Name: (2R)-2,5,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3, 4-dihydrochromen-6-ol
CAS Number: 148-03-8
PubChem ID: 6857447
InChiKey: WGVKWNUPNGFDFJ-DQCZWYHMSA-N
Canonical SMILES: CC1=CC(=C(C2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)O

Structural Properties:

Molecular Formula: C28H48O2
Molecular Weight: 416,6795

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 2
Number of atoms different from hydrogen: 30

Downloads

2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

Search Similar molecules

Similarity from: % to %

Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors


Rosenberg RS, Grass L, Jenkins DJ, Kendall CWC, Diamandis EP. 1998. Modulation of androgen and progesterone receptors by phytochemicals in breast cancer cell lines. Biochemical & Biophysical Research Communications 248(3):935-939.

External Links

Keywords


2D-structure

3D-structure

Jmol viewer