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Ombuin

CAT: 0931-TN2010-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TN2010-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
529-40-8
Target
Antibacterial
Related Pathways
Microbiology/Virology
Purity
0.9971
Bioactivity
Ombuin has anti-inflammatory activity, it inhibits some macrophage functions involved in the inflammatory process.
Smiles
COc1cc(O)c2c(c1)oc(-c1ccc(OC)c(O)c1)c(O)c2=O
Molecular Formula
C17H14O7
Molecular Weight
330.29
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ombuin

Ombuin is a dimethoxyflavone that is quercetin in which the hydroxy groups at positions 7 and 4' are replaced by methoxy groups. Isolated from Cyperus teneriffae, it exhibits anti-inflammatory activity. It has a role as an anti-inflammatory agent and a plant metabolite. It is a dimethoxyflavone, a trihydroxyflavone and a member of flavonols. It is functionally related to a quercetin. It is a conjugate acid of a 7,4'-O-dimethylquercetin 3-olate.

CAS Number529-40-8
PubChem CID5320287
IUPAC Name3,5-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxychromen-4-one
Molecular FormulaC17H14O7
Molecular Weight330.29
XLogP2.2
Topological Polar Surface Area105
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity517
SMILES
COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)O)O
InChI
InChI=1S/C17H14O7/c1-22-9-6-11(19)14-13(7-9)24-17(16(21)15(14)20)8-3-4-12(23-2)10(18)5-8/h3-7,18-19,21H,1-2H3
InChIKey
BWORNNDZQGOKBY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ombuin
CAS: 529-40-8
CID: 5320287
Formula: C17H14O7
MW: 330.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.29
XLogP32.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass330.07395278
Monoisotopic Mass330.07395278
Topological Polar Surface Area105 Ų
Heavy Atom Count24
Formal Charge0
Complexity517
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
HY-N3139-01Ombuin
M31417-01Ombuin 3-glucoside
HY-N12327-01Ombuin-3-O-glucoside

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