Theasinensin A
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Theasinensin A
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CAS No:
89064-31-3
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Formula:
C44H34O22
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Chemical Name:
Theasinensin A
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Synonyms:
Benzoic acid,3,4,5-trihydroxy-,1,1′-[[(1R)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-diyl]bis[(2R,3R)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-2,3-diyl]] ester;Benzoic acid,3,4,5-trihydroxy-,(4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-diyl)bis(3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-2,3-diyl) ester,stereoisomer;Benzoic acid,3,4,5-trihydroxy-,[(1R)-4,4′,5,5′,6,6′-hexahydroxy[1,1′-biphenyl]-2,2′-diyl]bis[(2R,3R)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-2,3-diyl] ester;(-)-Theasinensin A;Theasinensin A;2′,2′′′-Bisepigallocatechin digallate;Theasinensin digallate
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CAS No:
Description
Theasinensin A is a biflavonoid that is obtained by coupling of two molecules of (-)-epigallocatechin 3-gallate resulting in a bond between positions C-2 of the hydroxyphenyl ring. It is a natural product found in oolong tea. It has a role as an apoptosis inducer, an anti-inflammatory agent, a hypoglycemic agent, a hepatoprotective agent, an EC 3.2.1.20 (alpha-glucosidase) inhibitor, a melanin synthesis inhibitor, a plant metabolite and an anticoronaviral agent. It is a proanthocyanidin, a gallate ester and a biflavonoid. It derives from a (-)-epigallocatechin 3-gallate.
Computed Properties
Molecular Weight:914.7
XLogP3:4.2
Hydrogen Bond Donor Count:16
Hydrogen Bond Acceptor Count:22
Rotatable Bond Count:9
Exact Mass:914.15417271
Monoisotopic Mass:914.15417271
Topological Polar Surface Area:395
Heavy Atom Count:66
Complexity:1530
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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