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486-66-8

486-66-8 structural image
Product Name: Daidzein
Formula: C15H10O4
Synonyms: Daidzein;Isoaurostatin;4?,7-Dihydroxyisoflavone, Casein Kinase II Inhibitor X;4′,7-Dihydroxy-iso-flavone;7-Hydroxy-3-(4-hydroxy-phenyl)-4H-1-benzo-pyran-4-one
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 323 °C
Collision Cross Section 157.23 Ų [M+H]+ [CCS Type: DT, Method: stepped-field]

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P332+P313:IF SKIN irritation occurs: Get medical advice/attention.
P337+P313:IF eye irritation persists: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 254.24 g/mol
XLogP3 2.5
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 1
Exact Mass 254.05790880 g/mol
Monoisotopic Mass 254.05790880 g/mol
Topological Polar Surface Area 66.8 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 382
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Daidzein is a member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone substituted by an additional hydroxy group at position 4'. It has a role as an antineoplastic agent, a phytoestrogen, a plant metabolite, an EC 3.2.1.20 (alpha-glucosidase) inhibitor and an EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor. It is a conjugate acid of a daidzein(1-).