2,3,4-trihydroxybenzophenone

Synonyms: "2,3,4-trihydroxybenzophenone","phenyl(2,3,4-trihydroxyphenyl)methanone", "Alizarin yellow A", "Gallobenzophenone", "Alizarine Yellow A", "2,3,4-trihydroxybenzophenon", "2,3,4-trihydroxbenzophenone", "2,3,4-THBP", "phenyl-(2,3,4-trihydroxyphenyl)methanone", "phenyl(2,3,4-trihydroxyphenyl)-methanone".

Source: 2,3,4-trihydroxybenzophenone is a hydroxylated benzophenone UV filter in electronic products. It is also a metabolite of the sunscreen and personal care products ingredient 2-Hydroxy-4-methoxybenzophenone.

Identifiers:

IUPAC Name: phenyl-(2,3,4-trihydroxyphenyl)methanone
CAS Number: 1143-72-2
PubChem ID: 70837
InChiKey: HTQNYBBTZSBWKL-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=C(C(=C(C=C2)O)O)O

Structural Properties:

Molecular Formula: C13H10O4
Molecular Weight: 230.219

Pharmacophore Features:

Number of bond donors: 3
Number of bond acceptors: 4
Number of atoms different from hydrogen: 17

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

Toxicological Information

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


Kawamura Y, Mutsuga M, Kato T, Iida M, Tanamoto K. 2005. Estrogenic and anti-androgenic activities of benzophenones in human estrogen and androgen receptor mediated mammalian reporter gene assays. Journal of Health Science 51(1):48-54. DOI: 10.1248/jhs.51.48. URL: https://www.jstage.jst.go.jp/article/jhs/51/1/51_1_48/_article.
Kawamura Y, Ogawa Y, Nishimura T, Kikuchi Y, Nishikawa J, Nishihara T, Tanamoto K. 2003. Estrogenic activities of UV stabilizers used in food contact plastics and benzophenone derivatives tested by the yeast two-hybrid assay. Journal of Health Science 49(3):205-212. DOI: 10.1248/jhs.49.205. URL: https://www.jstage.jst.go.jp/article/jhs/49/3/49_3_205/_article.
Takatori S, Kitagawa Y, Oda H, Miwa G, Nishikawa J , Nishihara T, Nakazawa H, Hori S. 2003. Estrogenicity of metabolites of benzophenone derivatives examined by a yeast two-hybrid assay. Journal of Health Science 49(2):91-98. DOI: 10.1248/jhs.49.91. URL: https://www.jstage.jst.go.jp/article/jhs/49/2/49_2_91/_article.

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3D-structure