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Myrciacetin

CAT: 0931-T39435Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T39435Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
203734-35-4
Target
Reductase, Others
Related Pathways
Metabolism, Endocrinology/Hormones, Others
Bioactivity
Myrciacetin, a flavonoid derived from Rhododendron dauricum, exhibits inhibitory activity against rat lens aldose reductase, as demonstrated by an IC50 value of 13 μM.
Smiles
Cc1c(O)c(C)c2O[C@@H](CC(=O)c2c1O)c1cc(O)ccc1O
Molecular Formula
C17H16O6
Molecular Weight
316.309
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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Alternative Products

CatalogName
GTR19189469Myrciacetin

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