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Genistein

CAT: 0286-G00900Size: 5 mgDry Ice: NoHazardous: No
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CAS Number
446-72-0
Synonyms
4,5,7-Trihydroxyisoflavone, 5,7-Dihydroxy-3- (4-hydroxyphenyl) -4H-1-benzopyran-4-one
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00016952
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Genistein

Genistein is a 7-hydroxyisoflavone with additional hydroxy groups at positions 5 and 4'. It is a phytoestrogenic isoflavone with antioxidant properties. It has a role as a geroprotector, an antineoplastic agent, a tyrosine kinase inhibitor, an EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor, a plant metabolite, a phytoestrogen and a human urinary metabolite. It is a conjugate acid of a genistein(1-).

CAS Number446-72-0
PubChem CID5280961
IUPAC Name5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one
Molecular FormulaC15H10O5
Molecular Weight270.24
XLogP2.7
Topological Polar Surface Area87
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity410
SMILES
C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O
InChI
InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
InChIKey
TZBJGXHYKVUXJN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Genistein
CAS: 446-72-0
CID: 5280961
Formula: C15H10O5
MW: 270.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight270.24
XLogP32.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass270.05282342
Monoisotopic Mass270.05282342
Topological Polar Surface Area87 Ų
Heavy Atom Count20
Formal Charge0
Complexity410
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

Alternative Products

CatalogName
278264-01Genistein

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