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Ononin

CAT: 1299-RG-A260750-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-A260750-02Size:25 mg
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CAS Number
486-62-4
Synonyms
Ononin
Molecular Formula
C22H22O9
Molecular Weight
430.4
Target Alternative Name
Ononin
Product Name Synonym
Ononin

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
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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

Alternative Products

CatalogName
T6S0270-01Ononin
A14578-25Ononin 25mg
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A14578-5Ononin 5mg
A14578-100Ononin 100mg
A14578-20Ononin 20mg
A14578-10Ononin 10mg

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