Isobutrin
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Isobutrin
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CAS No:
536-01-6
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Formula:
C27H32O15
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Chemical Name:
Isobutrin
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Synonyms:
2-Propen-1-one,1-[4-(β-D-glucopyranosyloxy)-2-hydroxyphenyl]-3-[3-(β-D-glucopyranosyloxy)-4-hydroxyphenyl]-,(2E)-;Isobutrin;2-Propen-1-one,1-[4-(β-D-glucopyranosyloxy)-2-hydroxyphenyl]-3-[3-(β-D-glucopyranosyloxy)-4-hydroxyphenyl]-,(E)-;(2E)-1-[4-(β-D-Glucopyranosyloxy)-2-hydroxyphenyl]-3-[3-(β-D-glucopyranosyloxy)-4-hydroxyphenyl]-2-propen-1-one
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CAS No:
Description
ChEBI: A member of the class of chalcones that is trans-chalcone substituted by beta-D-glucopyranosyloxy groups at positions 3 and 4' and hydroxy groups at positions 4 and 2' respectively.
Isobutrin is a member of the class of chalcones that is trans-chalcone substituted by beta-D-glucopyranosyloxy groups at positions 3 and 4' and hydroxy groups at positions 4 and 2' respectively. It has a role as a plant metabolite, a hepatoprotective agent and an anti-inflammatory agent. It is a member of chalcones, a beta-D-glucoside, a monosaccharide derivative and a member of phenols. It derives from a trans-chalcone.
Computed Properties
Molecular Weight:596.5
XLogP3:-0.8
Hydrogen Bond Donor Count:10
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:9
Exact Mass:596.17412031
Monoisotopic Mass:596.17412031
Topological Polar Surface Area:256
Heavy Atom Count:42
Complexity:905
Defined Atom Stereocenter Count:10
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes