nordihydroguariaretic acid

Synonyms: "norhydroguaiaretic acid", "dihydronorguaiaretic acid", "4,4'-(2,3-dimethyltetramethylene)dipyrocatechol"

Source: nordihydroguariaretic acid is an antioxidant for fats and oils in foods. It is also used in trace amounts in cosmetics.

Identifiers:

IUPAC Name: 4-[4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol
CAS Number: 500-38-9
PubChem ID: 4534
InChiKey: HCZKYJDFEPMADG-UHFFFAOYSA-N
Canonical SMILES: CC(CC1=CC(=C(C=C1)O)O)C(C)CC2=CC(=C(C=C2)O)O

Structural Properties:

Molecular Formula: C18H22O4
Molecular Weight: 302,3649

Pharmacophore Features:

Number of bond donors: 4
Number of bond acceptors: 4
Number of atoms different from hydrogen: 22

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)

CCRIS (Chemical Carcinogenesis Research Information System)

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


Blair RM, Fang H, Branham WS, Hass BS, Dial SL, Moland CL, Tong W, Shi L, Perkins R, Sheehan DM. 2000. The estrogen receptor relative binding affinities of 188 natural and xenochemicals: structural diversity of ligands. Toxicol Sci 54(1):138-153.

External Links

Keywords


2D-structure

3D-structure

Jmol viewer