syringic acid

Synonyms: "3,5-dimethoxy-4-hydroxybenzoic acid", "4-hydroxy-3,5-dimethoxybenzoic acid", "cedar acid", "gallic acid 3,5-dimethyl ether", "syringate", "benzoic acid, 4-hydroxy-3,5-dimethoxy-"

Source: syringic acid is a phenolic compound that exists in nature and is the major component of some traditional medicinal herbs.

Identifiers:

IUPAC Name: 4-hydroxy-3,5-dimethoxybenzoic acid
CAS Number: 530-57-4
PubChem ID: 10742
InChiKey: JMSVCTWVEWCHDZ-UHFFFAOYSA-N
Canonical SMILES: COC1=CC(=CC(=C1O)OC)C(=O)O

Structural Properties:

Molecular Formula: C₉H₁₀O₅
Molecular Weight: 198.173

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 5
Number of atoms different from hydrogen: 14

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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

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.