m-coumaric acid

Synonyms: "3-hydroxycinnamic acid", "m-hydroxycinnamic acid", "3-(3-hydroxyphenyl)acrylic acid"

Source: 3-hydroxycinnamic acid is one of the substituents of 3,4-dihydroxycinnamic acid (caffeic acid), which is a natural product found in many plants and foods.

Identifiers:

IUPAC Name: (E)-3-(3-hydroxyphenyl)prop-2-enoic acid
CAS Number: 14755-02-3
PubChem ID: 637541
InChiKey: KKSDGJDHHZEWEP-SNAWJCMRSA-N
Canonical SMILES: C1=CC(=CC(=C1)O)C=CC(=O)O

Structural Properties:

Molecular Formula: C₉H₈O₃
Molecular Weight: 164.158

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 3
Number of atoms different from hydrogen: 12

Downloads

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

Search Similar molecules

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.