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Gentisin

CAT: 1410-M29151-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1410-M29151-04Size:25 mg
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Description
Gentisin is a novel inhibitor of vascular smooth muscle cells (VSMC) proliferation with an IC50 value of 7.84 μM. Gentisin has mutagenic activity.
CAS Number
437-50-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
258.229
Molecular Formula
C14H10O5
Notes
Research use only, not for human use.
Receptor
DNA/RNA Synthesis

Chemical Information

Gentisin

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

CAS Number437-50-3
PubChem CID5281636
IUPAC Name1,7-dihydroxy-3-methoxyxanthen-9-one
Molecular FormulaC14H10O5
Molecular Weight258.23
XLogP2.8
Topological Polar Surface Area76
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity358
SMILES
COC1=CC(=C2C(=C1)OC3=C(C2=O)C=C(C=C3)O)O
InChI
InChI=1S/C14H10O5/c1-18-8-5-10(16)13-12(6-8)19-11-3-2-7(15)4-9(11)14(13)17/h2-6,15-16H,1H3
InChIKey
XOXYHGOIRWABTC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Gentisin
CAS: 437-50-3
CID: 5281636
Formula: C14H10O5
MW: 258.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight258.23
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass258.05282342
Monoisotopic Mass258.05282342
Topological Polar Surface Area76 Ų
Heavy Atom Count19
Formal Charge0
Complexity358
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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