ferulic acid

Synonyms: "trans-ferulic acid", "4-hydroxy-3-methoxycinnamic acid", "ferulate", "(E)-ferulic acid", "coniferic acid", "trans-4-hydroxy-3-methoxycinnamic acid"

Source: ferulic acid is used in a wide range of cosmetics, such as skin lighteners, sunscreens, anti-aging creams and moisturizers.

Identifiers:

IUPAC Name: (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
CAS Number: 1135-24-6
PubChem ID: 445858
InChiKey: KSEBMYQBYZTDHS-HWKANZROSA-N
Canonical SMILES: COC1=C(C=CC(=C1)C=CC(=O)O)O

Structural Properties:

Molecular Formula: C10H10O4
Molecular Weight: 194,184

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 4
Number of atoms different from hydrogen: 14

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3D structure (.pdbqt)

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Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

HSDB (Hazardous Substances Data Bank)

CCRIS (Chemical Carcinogenesis Research Information System)

CTD (Comparative Toxicogenomics Database)

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.

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Keywords


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