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Gentisein

CAT: 0013-GTR19173529-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19173529-01Size:5 mg
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Description
Gentisein (NSC-329491), the major metabolite of Mangiferin, is a serotonin uptake inhibitor with an IC50 of 4.7 μM. This compound is a useful research tool for studying serotonergic systems in neuropharmacology, applicable in both in vitro and in vivo experimental models.
CAS Number
529-49-7
Product Name Alternative
Serotonin, serotonin uptake, SerotoninTransporter, Serotonin Transporter, Serotonin Receptor, 5-HT Receptor, 5-hydroxytryptamine Receptor, 1,3,7-Trihydroxyxanthone, antidepressant, metabolite, inhibit, Inhibitor, NSC 329491, NSC329491, NSC-329491, Gentisein
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
96.74% (May vary between batches)
Solubility
DMSO:22.5 mg/mL (92.14 mM)
Smiles
Oc1ccc2oc3cc (O) cc (O) c3c (=O) c2c1
Molecular Formula
C13H8O5
Molecular Weight
244.2
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1,3,7-Trihydroxyxanthone

Gentisein is a member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 3 and 7. It has a role as a plant metabolite. It is a polyphenol and a member of xanthones.

CAS Number529-49-7
PubChem CID5281635
IUPAC Name1,3,7-trihydroxyxanthen-9-one
Molecular FormulaC13H8O5
Molecular Weight244.20
XLogP2.4
Topological Polar Surface Area87
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count18
Formal Charge0
Complexity344
SMILES
C1=CC2=C(C=C1O)C(=O)C3=C(C=C(C=C3O2)O)O
InChI
InChI=1S/C13H8O5/c14-6-1-2-10-8(3-6)13(17)12-9(16)4-7(15)5-11(12)18-10/h1-5,14-16H
InChIKey
JJUNZBRHHGLJQW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3,7-Trihydroxyxanthone
CAS: 529-49-7
CID: 5281635
Formula: C13H8O5
MW: 244.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight244.20
XLogP32.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass244.03717335
Monoisotopic Mass244.03717335
Topological Polar Surface Area87 Ų
Heavy Atom Count18
Formal Charge0
Complexity344
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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Alternative Products

CatalogName
380357Gentisein
HY-118166RGentisein (Standard)
FG65294Gentisein-3,7-dimethylether

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