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Ononin

CAT: 0013-GTR19159185-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19159185-01Size:100 mg
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Description
Ononin can inhibit the growth of pathogen. Ononin plays an important role in human nutrition as health promoting natural chemicals and are established to be the beneficial components.
CAS Number
486-62-4
Product Name Alternative
Ononoside | Formononetin 7-O-β-D-glucopyranoside
Purity
>98% (HPLC)
Solubility
DMSO : ≥ 32 mg/mL; 74.35 mM
Smiles
COC1=CC=C (C=C1) C2=COC3=C (C2=O) C=CC (=C3) OC4C (C (C (C (O4) CO) O) O) O
Molecular Formula
C22H22O9
Molecular Weight
430.4
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Ononin

Ononin is a 4'-methoxyisoflavone that is formononetin attached to a beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. It has a role as a plant metabolite. It is a member of 4'-methoxyisoflavones, a 7-hydroxyisoflavones 7-O-beta-D-glucoside and a monosaccharide derivative. It is functionally related to a formononetin.

CAS Number486-62-4
PubChem CID442813
IUPAC Name3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Molecular FormulaC22H22O9
Molecular Weight430.4
XLogP1
Topological Polar Surface Area135
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity659
SMILES
COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI
InChI=1S/C22H22O9/c1-28-12-4-2-11(3-5-12)15-10-29-16-8-13(6-7-14(16)18(15)24)30-22-21(27)20(26)19(25)17(9-23)31-22/h2-8,10,17,19-23,25-27H,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1
InChIKey
MGJLSBDCWOSMHL-MIUGBVLSSA-N
Chemical Structure
2D Structure
2D structure of Ononin
CAS: 486-62-4
CID: 442813
Formula: C22H22O9
MW: 430.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight430.4
XLogP31
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass430.12638228
Monoisotopic Mass430.12638228
Topological Polar Surface Area135 Ų
Heavy Atom Count31
Formal Charge0
Complexity659
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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T6S0270-01Ononin
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A14578-5Ononin 5mg
A14578-100Ononin 100mg
A14578-20Ononin 20mg
A14578-10Ononin 10mg
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