prim-O-Glucosylcimifugin
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prim-O-Glucosylcimifugin
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CAS No:
80681-45-4
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Formula:
C22H28O11
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Chemical Name:
prim-O-Glucosylcimifugin
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Synonyms:
5H-Furo[3,2-g][1]benzopyran-5-one,7-[(β-D-glucopyranosyloxy)methyl]-2,3-dihydro-2-(1-hydroxy-1-methylethyl)-4-methoxy-,(2S)-;5H-Furo[3,2-g][1]benzopyran-5-one,7-[(β-D-glucopyranosyloxy)methyl]-2,3-dihydro-2-(1-hydroxy-1-methylethyl)-4-methoxy-,(S)-;(2S)-7-[(β-D-Glucopyranosyloxy)methyl]-2,3-dihydro-2-(1-hydroxy-1-methylethyl)-4-methoxy-5H-furo[3,2-g][1]benzopyran-5-one;prim-O-Glucosylcimifugin;Cimicifuga glycoside;1040409-91-3
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CAS No:
Description
Prim-O-glucosylcimifugin exerts anti-inflammatory effects through the inhibition of iNOS and COX-2 expression by through regulating JAK2/STAT3 signaling.
Characteristics
168.28000
-1.35
1.5±0.1 g/cm3
132-133 °C @ Solvent: Chloroform, Methanol
736.9±60.0 °C at 760 mmHg
255.0±26.4 °C
1.648
Computed Properties
Molecular Weight:468.4
XLogP3:-0.9
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:6
Exact Mass:468.16316171
Monoisotopic Mass:468.16316171
Topological Polar Surface Area:164
Heavy Atom Count:33
Complexity:755
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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