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5-O-Methylgenistein

CAT: 0931-TN3133Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN3133Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
4569-98-6
Target
Others, Glucosidase, glycosidase
Related Pathways
Metabolism, Others
Bioactivity
5-O-Methylgenistein may show free radical scavenging activity, it also may have hepatoprotective property on the model of toxic hepatitis induced by carbon tetrachloride damage.
Smiles
COc1cc(O)cc2occ(-c3ccc(O)cc3)c(=O)c12
Molecular Formula
C16H12O5
Molecular Weight
284.26
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Isoprunetin

5-O-Methylgenistein has been reported in Cotoneaster simonsii, Laburnum anagyroides, and other organisms with data available.

CAS Number4569-98-6
PubChem CID5748551
IUPAC Name7-hydroxy-3-(4-hydroxyphenyl)-5-methoxychromen-4-one
Molecular FormulaC16H12O5
Molecular Weight284.26
XLogP2.4
Topological Polar Surface Area76
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity424
SMILES
COC1=CC(=CC2=C1C(=O)C(=CO2)C3=CC=C(C=C3)O)O
InChI
InChI=1S/C16H12O5/c1-20-13-6-11(18)7-14-15(13)16(19)12(8-21-14)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3
InChIKey
YSINCDVRUMTOPK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isoprunetin
CAS: 4569-98-6
CID: 5748551
Formula: C16H12O5
MW: 284.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight284.26
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass284.06847348
Monoisotopic Mass284.06847348
Topological Polar Surface Area76 Ų
Heavy Atom Count21
Formal Charge0
Complexity424
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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