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: 302.365

Pharmacophore Features:

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

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

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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.