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Isogentisin

CAT: 0931-T32208-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T32208-05Size:50 mg
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CAS Number
491-64-5
Target
MAO
Related Pathways
Metabolism, Neuroscience
Purity
0.951
Bioactivity
Isogentisin (BRN 0258402), a compound isolated from Gentianaceae, is a novel compound for the prevention of smoking-induced endothelial damage.Isogentisin exhibits inhibitory effects on monoamine oxidase.
Smiles
COC1=CC=C2OC3=CC(O)=CC(O)=C3C(=O)C2=C1
Molecular Formula
C14H10O5
Molecular Weight
258.23
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Isogentisin

Isogentisin is a member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1 and 3 and a methoxy group at position 7. It has a role as an EC 1.4.3.4 (monoamine oxidase) inhibitor and a plant metabolite. It is a polyphenol, an aromatic ether and a member of xanthones.

CAS Number491-64-5
PubChem CID5281640
IUPAC Name1,3-dihydroxy-7-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=CC2=C(C=C1)OC3=CC(=CC(=C3C2=O)O)O
InChI
InChI=1S/C14H10O5/c1-18-8-2-3-11-9(6-8)14(17)13-10(16)4-7(15)5-12(13)19-11/h2-6,15-16H,1H3
InChIKey
FVIYCYAHKMJVJK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isogentisin
CAS: 491-64-5
CID: 5281640
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

Alternative Products

CatalogName
FI65302-01Isogentisin

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