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Kushenol O

CAT: 0804-HY-N7791-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N7791-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Kushenol O is a flavonoid compound[1].
CAS Number
102390-91-0
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/kushenol-o.html
Purity
99.60
Solubility
10 mM in DMSO
Smiles
O=C1C(C2=CC=C(OC)C=C2)=COC3=CC(O[C@H]4[C@@H]([C@H]([C@@H]([C@@H](CO[C@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)O4)O)O)O)=CC=C13
Molecular Formula
C27H30O13
Molecular Weight
562.52
References & Citations
[1]Lei Zhang, et al. Characterization of flavonoids in the extract of Sophora flavescens Ait. by high-performance liquid chromatography coupled with diode-array detector and electrospray ionization mass spectrometry. J Pharm Biomed Anal. 2007 Sep 3;44 (5) :1019-28.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Npc158558

Formononetin 7-O-xylosyl-(1->6)-glucoside is an acrovestone and an isoflavonoid.

CAS Number102390-91-0
PubChem CID44257224
IUPAC Name3-(4-methoxyphenyl)-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-[[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Molecular FormulaC27H30O13
Molecular Weight562.5
XLogP-1.1
Topological Polar Surface Area194
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count13
Rotatable Bond Count7
Heavy Atom Count40
Formal Charge0
Complexity892
SMILES
COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O[C@H]4C([C@H]([C@@H](C(O4)CO[C@H]5C([C@H]([C@@H](CO5)O)O)O)O)O)O
InChI
InChI=1S/C27H30O13/c1-35-13-4-2-12(3-5-13)16-9-36-18-8-14(6-7-15(18)20(16)29)39-27-25(34)23(32)22(31)19(40-27)11-38-26-24(33)21(30)17(28)10-37-26/h2-9,17,19,21-28,30-34H,10-11H2,1H3/t17-,19?,21+,22-,23+,24?,25?,26+,27-/m1/s1
InChIKey
YKLQOTMQENGJJX-MDTXFADZSA-N
Chemical Structure
2D Structure
2D structure of Npc158558
CAS: 102390-91-0
CID: 44257224
Formula: C27H30O13
MW: 562.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight562.5
XLogP3-1.1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count13
Rotatable Bond Count7
Exact Mass562.16864101
Monoisotopic Mass562.16864101
Topological Polar Surface Area194 Ų
Heavy Atom Count40
Formal Charge0
Complexity892
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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