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Myrciacetin

CAT: 0804-HY-N9335-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N9335-01Size:5 mg
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Description
Myrciacetin is a flavonoid from Rhododendron dauricum. Myrciacetin is against rat lens aldose reductase with an IC50 of 13 μM[1].
CAS Number
203734-35-4
UNSPSC
12352005
Hazard Statement
H302-H315-H319
Target
Aldose Reductase
Type
Natural Products
Related Pathways
Metabolic Enzyme/Protease
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/myrciacetin.html
Solubility
10 mM in DMSO
Smiles
OC1=C(C(O)=C2C(C[C@H](OC2=C1C)C3=CC(O)=CC=C3O)=O)C
Molecular Formula
C17H16O6
Molecular Weight
316.31
Precautions
P264-P270-P280-P302+P352-P305+P351+P338-P330-P362+P364-P501
References & Citations
[1]Hisashi MATSUDA, et al. Antidiabetic Principles of Natural Medicines. V.1) Aldose Reductase Inhibitors from Myrcia multiflora DC. (2) : Structures of Myrciacitrins III, IV, and V. N Chem. Pharm. Bull. 50 (3) 429—431 (2002) |[2]Xin-Wei Lou, et al. Identification and characterization of three new flavonoids from Rhododendron dauricum. Chin J Nat Med
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Myrciacetin
CAS Number203734-35-4
PubChem CID6918746
IUPAC Name(2S)-2-(2,5-dihydroxyphenyl)-5,7-dihydroxy-6,8-dimethyl-2,3-dihydrochromen-4-one
Molecular FormulaC17H16O6
Molecular Weight316.30
XLogP2.8
Topological Polar Surface Area107
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity454
SMILES
CC1=C(C(=C2C(=C1O)C(=O)C[C@H](O2)C3=C(C=CC(=C3)O)O)C)O
InChI
InChI=1S/C17H16O6/c1-7-15(21)8(2)17-14(16(7)22)12(20)6-13(23-17)10-5-9(18)3-4-11(10)19/h3-5,13,18-19,21-22H,6H2,1-2H3/t13-/m0/s1
InChIKey
DLAILIPOGIKSMK-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of Myrciacetin
CAS: 203734-35-4
CID: 6918746
Formula: C17H16O6
MW: 316.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight316.30
XLogP32.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass316.09468823
Monoisotopic Mass316.09468823
Topological Polar Surface Area107 Ų
Heavy Atom Count23
Formal Charge0
Complexity454
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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