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G-4'G-7S

CAT: 0804-HY-160485Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-160485Size:1 Each
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Description
G-4'G-7S is a endogenous metabolite of genistein. G-4'G-7S can be used for the research of estrogenic activity[1].
CAS Number
1630724-68-3
UNSPSC
12352005
Target
Fluorescent Dye
Type
Reference compound
Related Pathways
Others
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Endocrinology
Assay Protocol
https://www.medchemexpress.com/g-4-g-7s.html
Solubility
10 mM in DMSO
Smiles
O=C1C2=C(O)C=C(OS(=O)(O)=O)C=C2OC=C1C3=CC=C(C=C3)O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)C(O)=O
Molecular Formula
C21H18O14S
Molecular Weight
526.42
References & Citations
[1]Boonpawa R, et al. In vitro-in silico-based analysis of the dose-dependent in vivo oestrogenicity of the soy phytoestrogen genistein in humans. Br J Pharmacol. 2017 Aug;174 (16) :2739-2757.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Genistein 4'-glucuronide-7-sulfate

Genistein 4'-glucuronide-7-sulfate is an acrovestone and an isoflavonoid.

CAS Number1630724-68-3
PubChem CID102339163
IUPAC Name(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(5-hydroxy-4-oxo-7-sulfooxychromen-3-yl)phenoxy]oxane-2-carboxylic acid
Molecular FormulaC21H18O14S
Molecular Weight526.4
XLogP0.5
Topological Polar Surface Area235
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count14
Rotatable Bond Count6
Heavy Atom Count36
Formal Charge0
Complexity968
SMILES
C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)OS(=O)(=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O
InChI
InChI=1S/C21H18O14S/c22-12-5-10(35-36(29,30)31)6-13-14(12)15(23)11(7-32-13)8-1-3-9(4-2-8)33-21-18(26)16(24)17(25)19(34-21)20(27)28/h1-7,16-19,21-22,24-26H,(H,27,28)(H,29,30,31)/t16-,17-,18+,19-,21+/m0/s1
InChIKey
SQCSMLZKGFBVFL-ZFORQUDYSA-N
Chemical Structure
2D Structure
2D structure of Genistein 4'-glucuronide-7-sulfate
CAS: 1630724-68-3
CID: 102339163
Formula: C21H18O14S
MW: 526.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight526.4
XLogP30.5
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count14
Rotatable Bond Count6
Exact Mass526.04172642
Monoisotopic Mass526.04172642
Topological Polar Surface Area235 Ų
Heavy Atom Count36
Formal Charge0
Complexity968
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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GTR19233656-01G-4'G-7S
sc-166250Gβ (A-4)
sc-166865COL1A2 (G-4)
sc-393828CUEDC1 (G-4)
sc-376711CYP17A1 (G-4)
sc-515007TRIM9 (G-4)
sc-271293Fyn (G-4)
sc-74501Amphiregulin (G-4)
sc-376321ZNF167 (G-4)
sc-393004XPG (G-4)

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