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Rhodionin

CAT: 0804-HY-N0241-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N0241-01Size:5 mg
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Description
Rhodionin, isolated from the root of Rhodiola crenulata, is a specific non-competitive cytochrome P450 2D6 inhibitor with an IC50 of 0.761 μM and a Ki of 0.769 μM[1]. Rhodionin exhibits potent, dose-dependent inhibitory effects on acetylcholinesterase (AChE) with IC50 ranged from 57.50 to 2.43 μg/mL[2]. Rhodionin exhibits potent DPPH free radical scavenging activities, with an IC50 of 19.49 μM[3].
CAS Number
85571-15-9
UNSPSC
12352005
Target
Cholinesterase (ChE)
Type
Natural Products
Related Pathways
Neuronal Signaling
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/rhodionin.html
Concentration
10mM
Purity
98.78
Solubility
DMSO : 16.67 mg/mL (ultrasonic)
Smiles
O=C1C(O)=C(C2=CC=C(O)C=C2)OC3=C(O)C(O[C@H]4[C@@H]([C@@H]([C@H]([C@H](C)O4)O)O)O)=CC(O)=C13
Molecular Formula
C21H20O11
Molecular Weight
448.38
References & Citations
Rhodiola roseaRhodiola crenulataRhodiola sachalinensis
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Natural Products
Clinical Information
No Development Reported
Isoform
AChE

Chemical Information

Rhodionin

rhodionin has been reported in Rhodiola crenulata, Rhodiola sachalinensis, and Rhodiola rosea with data available.

CAS Number85571-15-9
PubChem CID21626477
IUPAC Name3,5,8-trihydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
Molecular FormulaC21H20O11
Molecular Weight448.4
XLogP0.9
Topological Polar Surface Area186
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count3
Heavy Atom Count32
Formal Charge0
Complexity733
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(C3=C(C(=C2)O)C(=O)C(=C(O3)C4=CC=C(C=C4)O)O)O)O)O)O
InChI
InChI=1S/C21H20O11/c1-7-13(24)16(27)18(29)21(30-7)31-11-6-10(23)12-15(26)17(28)19(32-20(12)14(11)25)8-2-4-9(22)5-3-8/h2-7,13,16,18,21-25,27-29H,1H3/t7-,13-,16+,18+,21-/m0/s1
InChIKey
CIAXXTSXVCLEJK-JOEVVYSCSA-N
Chemical Structure
2D Structure
2D structure of Rhodionin
CAS: 85571-15-9
CID: 21626477
Formula: C21H20O11
MW: 448.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight448.4
XLogP30.9
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count11
Rotatable Bond Count3
Exact Mass448.10056145
Monoisotopic Mass448.10056145
Topological Polar Surface Area186 Ų
Heavy Atom Count32
Formal Charge0
Complexity733
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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