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2,3,4-Trihydroxybenzophenone

CAT: 0804-HY-D0272-02Size: 10 gDry Ice: NoHazardous: No
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CAT#:0804-HY-D0272-02Size:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
2,3,4-Trihydroxybenzophenone is a hydroxylated benzophenone UV filter with estrogenic activity. 2,3,4-Trihydroxybenzophenone is a quorum sensing inhibitor and an EC 1.14.18.1 (tyrosinase) inhibitor. 2,3,4-Trihydroxybenzophenone is also a human urinary metabolite, a rat metabolite and a drug metabolite[1][2].
CAS Number
1143-72-2
UNSPSC
12171500
Hazard Statement
H315, H319, H335
Target
Estrogen Receptor/ERR
Related Pathways
Vitamin D Related/Nuclear Receptor
Field of Research
Metabolic Disease
Purity
99.92
Smiles
O=C(C1=CC=CC=C1)C2=CC=C(O)C(O)=C2O
Molecular Formula
C13H10O4
Molecular Weight
230.22
Precautions
H315, H319, H335
References & Citations
[1]Tarazona I, et al. Determination of hydroxylated benzophenone UV filters in sea water samples by dispersive liquid-liquid microextraction followed by gas chromatography-mass spectrometry. J Chromatogr A. 2010 Jul 16;1217 (29) :4771-8. |[2]Takatori S, et al. Estrogenicity of metabolites of benzophenone derivatives examined by a yeast two-hybrid assay[J]. Journal of health science, 2003, 49 (2) : 91-98.
Shipping Conditions
Room Temperature
Storage Conditions
RT, stored under nitrogen
Scientific Category
Dye Reagents
Clinical Information
No Development Reported

Chemical Information

Alizarin Yellow A

2,3,4-trihydroxbenzophenone is a benzenetriol that is benzophenone in which one of the phenyl groups is substituted by hydroxy groups at positions 2, 3, and 4. It is a redox mediator. It has a role as a quorum sensing inhibitor, a drug metabolite, an EC 1.14.18.1 (tyrosinase) inhibitor, a human urinary metabolite and a rat metabolite. It is a benzenetriol and a hydroxybenzophenone.

CAS Number1143-72-2
PubChem CID70837
IUPAC Namephenyl-(2,3,4-trihydroxyphenyl)methanone
Molecular FormulaC13H10O4
Molecular Weight230.22
XLogP2.8
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity273
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C(=C(C=C2)O)O)O
InChI
InChI=1S/C13H10O4/c14-10-7-6-9(12(16)13(10)17)11(15)8-4-2-1-3-5-8/h1-7,14,16-17H
InChIKey
HTQNYBBTZSBWKL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Alizarin Yellow A
CAS: 1143-72-2
CID: 70837
Formula: C13H10O4
MW: 230.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight230.22
XLogP32.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass230.05790880
Monoisotopic Mass230.05790880
Topological Polar Surface Area77.8 Ų
Heavy Atom Count17
Formal Charge0
Complexity273
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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