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Oroxin A

CAT: 0013-GTR19158772-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19158772-01Size:1 g
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Description
Oroxin A has antitussive and expectorant effects.
CAS Number
57396-78-8
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 125 mg/mL (289.10 mM)
Smiles
O=C3C=C (Oc2cc (O[C@@H]1O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]1O) c (O) c (O) c23) c4ccccc4
Molecular Formula
C21H20O10
Molecular Weight
432.38
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Oroxin A

Oroxin A has been reported in Scutellaria comosa, Scutellaria immaculata, and other organisms with data available.

CAS Number57396-78-8
PubChem CID5320313
IUPAC Name5,6-dihydroxy-2-phenyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Molecular FormulaC21H20O10
Molecular Weight432.4
XLogP0.9
Topological Polar Surface Area166
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity677
SMILES
C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O
InChI
InChI=1S/C21H20O10/c22-8-14-17(25)19(27)20(28)21(31-14)30-13-7-12-15(18(26)16(13)24)10(23)6-11(29-12)9-4-2-1-3-5-9/h1-7,14,17,19-22,24-28H,8H2/t14-,17-,19+,20-,21-/m1/s1
InChIKey
IPQKDIRUZHOIOM-IAAKTDFRSA-N
Chemical Structure
2D Structure
2D structure of Oroxin A
CAS: 57396-78-8
CID: 5320313
Formula: C21H20O10
MW: 432.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight432.4
XLogP30.9
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Exact Mass432.10564683
Monoisotopic Mass432.10564683
Topological Polar Surface Area166 Ų
Heavy Atom Count31
Formal Charge0
Complexity677
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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