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21967-41-9

21967-41-9 structural image
Product Name: Baicalin
Formula: C21H18O11
Synonyms: 5,6-Dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl-β-D-glucopyranosiduronic acid;Baicalein 7-β-D-glucopyranosiduronate;Baicalein 7-O-β-D-glucuronide
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 446.4 g/mol
XLogP3 1.1
Hydrogen Bond Donor Count 6
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 4
Exact Mass 446.08491139 g/mol
Monoisotopic Mass 446.08491139 g/mol
Topological Polar Surface Area 183 Ų
Heavy Atom Count 32
Formal Charge 0
Complexity 748
Isotope Atom Count 0
Defined Atom Stereocenter Count 5
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

Baicalin is the glycosyloxyflavone which is the 7-O-glucuronide of baicalein. It is an active ingredient of Chinese herbal medicine Scutellaria baicalensis. It has a role as a non-steroidal anti-inflammatory drug, an EC 3.4.21.26 (prolyl oligopeptidase) inhibitor, a prodrug, a plant metabolite, a ferroptosis inhibitor, a neuroprotective agent, an antineoplastic agent, a cardioprotective agent, an antiatherosclerotic agent, an antioxidant, an EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor, an anticoronaviral agent and an antibacterial agent. It is a glucosiduronic acid, a glycosyloxyflavone, a dihydroxyflavone and a monosaccharide derivative. It is functionally related to a baicalein. It is a conjugate acid of a baicalin(1-).