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O-Desmethylangolensin

CAT: 0013-GTR19244060-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19244060-01Size:500 mg
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Description
O-Desmethylangolensin is a metabolite of soy isoflavone, daidzein metabolized by gut microbiota. O-Desmethylangolensin possesses antioxidant activity.
CAS Number
21255-69-6
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 62.5 mg/mL (241.99 mM; Ultrasonic (<60°C)
Smiles
O=C (C1=CC=C (O) C=C1O) C (C2=CC=C (O) C=C2) C
Molecular Formula
C15H14O4
Molecular Weight
258.27
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

O-Desmethylangolensin

O-Desmethylangolensin is a stilbenoid.

CAS Number21255-69-6
PubChem CID89472
IUPAC Name1-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)propan-1-one
Molecular FormulaC15H14O4
Molecular Weight258.27
XLogP3.3
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity309
SMILES
CC(C1=CC=C(C=C1)O)C(=O)C2=C(C=C(C=C2)O)O
InChI
InChI=1S/C15H14O4/c1-9(10-2-4-11(16)5-3-10)15(19)13-7-6-12(17)8-14(13)18/h2-9,16-18H,1H3
InChIKey
JDJPNKPFDDUBFV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of O-Desmethylangolensin
CAS: 21255-69-6
CID: 89472
Formula: C15H14O4
MW: 258.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight258.27
XLogP33.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass258.08920892
Monoisotopic Mass258.08920892
Topological Polar Surface Area77.8 Ų
Heavy Atom Count19
Formal Charge0
Complexity309
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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