Products for Research Use Only
RegisterLogin

Gentisin

CAT: 0804-HY-N4279Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-N4279Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Gentisin is a natural compound. Gentisin can be extracted from Gentianae radix (Gentianaceae) . Gentisin has mutagenic activity. Gentisin can be used in vascular smooth muscle research[1][2].
CAS Number
437-50-3
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/gentisin.html
Purity
98.88
Solubility
10 mM in DMSO
Smiles
O=C1C2=C(OC3=C1C=C(O)C=C3)C=C(OC)C=C2O
Molecular Formula
C14H10O5
Molecular Weight
258.23
References & Citations
[1]Morimoto, et al. Mutagenic activities of gentisin and isogentisin from Gentianae radix (Gentianaceae) . Mutat Res. 1983 Feb;116 (2) :103-17.|[2]Waltenberger B, et al. Nonprenylated Xanthones from Gentiana lutea, Frasera caroliniensis, and Centaurium erythraea as Novel Inhibitors of Vascular Smooth Muscle Cell Proliferation. Molecules. 2015 Nov 13;20 (11) :20381-90.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Natural Products
Clinical Information
No Development Reported

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

Related Products

CatalogName
HY-118166-01Gentisein
HY-118166RGentisein (Standard)
HY-N0595-01Genistin
HY-17389-01Genipin
HY-N9096Gentiside B
HY-N9250Gentiside J
HY-W248907-01Gentisyl alcohol
HY-N0595R-01Genistin (Standard)
HY-17389R-01Genipin (Standard)
HY-N4129-014''-methyloxy-Genistin

Alternative Products

CatalogName
TN1683-01Gentisin

Popular Products