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Genistein 7-O-glucuronide

CAT: 0931-TN4125Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN4125Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
38482-81-4
Target
VEGFR, Others
Related Pathways
Others, Angiogenesis, Tyrosine Kinase/Adaptors
Bioactivity
Genistein 7-O-glucuronide is a natural product for research related to life sciences. The catalog number is TN4125 and the CAS number is 38482-81-4.
Smiles
O=C1C=2C(=CC(O[C@@H]3O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]3O)=CC2O)OC=C1C4=CC=C(O)C=C4
Molecular Formula
C21H18O11
Molecular Weight
446.36
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Genistein 7-O-glucuronide

Genistein 7-O-glucuronide is an acrovestone and an isoflavonoid.

CAS Number38482-81-4
PubChem CID15940724
IUPAC Name(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid
Molecular FormulaC21H18O11
Molecular Weight446.4
XLogP1.1
Topological Polar Surface Area183
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Heavy Atom Count32
Formal Charge0
Complexity746
SMILES
C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O
InChI
InChI=1S/C21H18O11/c22-9-3-1-8(2-4-9)11-7-30-13-6-10(5-12(23)14(13)15(11)24)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1
InChIKey
JIVINIISUDEORF-ZFORQUDYSA-N
Chemical Structure
2D Structure
2D structure of Genistein 7-O-glucuronide
CAS: 38482-81-4
CID: 15940724
Formula: C21H18O11
MW: 446.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight446.4
XLogP31.1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count4
Exact Mass446.08491139
Monoisotopic Mass446.08491139
Topological Polar Surface Area183 Ų
Heavy Atom Count32
Formal Charge0
Complexity746
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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