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Scutellarin methyl ester

CAT: 0013-GTR19171183-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19171183-04Size:25 mg
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Description
Scutellarin methyl ester is a research compound studied for its sedative and potential anti-aging properties. It has been shown in experimental models to promote sleep by reducing latency and increasing duration, making it relevant for neuropharmacology and gerontology research.
CAS Number
119262-68-9
Product Name Alternative
Scutellarin methyl ester, Scutellarin methylester, Inhibitor, inhibit
Purity
96.70% (May vary between batches)
Solubility
Ethanol:Soluble; DMSO:70 mg/mL (146.94 mM) ; Pyridine, Methanol, etc.:Soluble
Smiles
COC (=O) [C@H]1O[C@@H] (Oc2cc3oc (cc (=O) c3c (O) c2O) -c2ccc (O) cc2) [C@H] (O) [C@@H] (O) [C@@H]1O
Molecular Formula
C22H20O12
Molecular Weight
476.39
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Scutellarin methylester

Scutellarin methyl ester is a glucosiduronic acid and a member of flavonoids.

CAS Number119262-68-9
PubChem CID14162695
IUPAC Namemethyl (2S,3S,4S,5R,6S)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate
Molecular FormulaC22H20O12
Molecular Weight476.4
XLogP1.1
Topological Polar Surface Area192
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity793
SMILES
COC(=O)[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(C(=C3C(=C2)OC(=CC3=O)C4=CC=C(C=C4)O)O)O)O)O)O
InChI
InChI=1S/C22H20O12/c1-31-21(30)20-18(28)17(27)19(29)22(34-20)33-13-7-12-14(16(26)15(13)25)10(24)6-11(32-12)8-2-4-9(23)5-3-8/h2-7,17-20,22-23,25-29H,1H3/t17-,18-,19+,20-,22+/m0/s1
InChIKey
LNIVUWPCHRNJLG-SXFAUFNYSA-N
Chemical Structure
2D Structure
2D structure of Scutellarin methylester
CAS: 119262-68-9
CID: 14162695
Formula: C22H20O12
MW: 476.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight476.4
XLogP31.1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Exact Mass476.09547607
Monoisotopic Mass476.09547607
Topological Polar Surface Area192 Ų
Heavy Atom Count34
Formal Charge0
Complexity793
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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