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CHEBI:9518 - theasinensin A

Default Structure
ChEBI IDCHEBI:9518
ChEBI Nametheasinensin A
Stars
DefinitionA 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.
Last Modified15 October 2021
DownloadsMolfile
FormulaC44H34O22
Net Charge0
Average Mass914.734
Monoisotopic Mass914.15417
SMILESO=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1-c1c([C@H]2Oc3cc(O)cc(O)c3C[C@H]2OC(=O)c2cc(O)c(O)c(O)c2)cc(O)c(O)c1O)c1cc(O)c(O)c(O)c1
InChIInChI=1S/C44H34O22/c45-15-5-21(47)17-11-31(65-43(61)13-1-23(49)35(55)24(50)2-13)41(63-29(17)7-15)19-9-27(53)37(57)39(59)33(19)34-20(10-28(54)38(58)40(34)60)42-32(12-18-22(48)6-16(46)8-30(18)64-42)66-44(62)14-3-25(51)36(56)26(52)4-14/h1-10,31-32,41-42,45-60H,11-12H2/t31-,32-,41-,42-/m1/s1
InChIKeyYUULFXAQUWEYNP-GXAWFILRSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Camellia sinensis (ncbitaxon:4442) leaf (BTO:0000713) DOI (10.1248/cpb.31.3906) Species also known as Thea sinensis.
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
anticoronaviral agent  Any antiviral agent which inhibits the activity of coronaviruses.
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
EC 3.2.1.20 (alpha-glucosidase) inhibitor  An EC 3.2.1.* (glycosidase) inhibitor that interferes with the action of α-glucosidase (EC 3.2.1.20).
Applications:
hypoglycemic agent  A drug which lowers the blood glucose level.
melanin synthesis inhibitor  A depigmentation agent which inhibits the synthesis of melanin.
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
hepatoprotective agent  Any compound that is able to prevent damage to the liver.
astringent  A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions.
ChEBI Ontology
Outgoing Relation(s)
theasinensin A (CHEBI:9518) has functional parent (−)-epigallocatechin 3-gallate (CHEBI:4806)
theasinensin A (CHEBI:9518) has role anti-inflammatory agent (CHEBI:67079)
theasinensin A (CHEBI:9518) has role anticoronaviral agent (CHEBI:149553)
theasinensin A (CHEBI:9518) has role apoptosis inducer (CHEBI:68495)
theasinensin A (CHEBI:9518) has role EC 3.2.1.20 (α-glucosidase) inhibitor (CHEBI:67239)
theasinensin A (CHEBI:9518) has role hepatoprotective agent (CHEBI:62868)
theasinensin A (CHEBI:9518) has role hypoglycemic agent (CHEBI:35526)
theasinensin A (CHEBI:9518) has role melanin synthesis inhibitor (CHEBI:64933)
theasinensin A (CHEBI:9518) has role plant metabolite (CHEBI:76924)
theasinensin A (CHEBI:9518) is a biflavonoid (CHEBI:50128)
theasinensin A (CHEBI:9518) is a gallate ester (CHEBI:37576)
theasinensin A (CHEBI:9518) is a proanthocyanidin (CHEBI:26267)
IUPAC Name 
(4,4',5,5',6,6'-hexahydroxy[biphenyl]-2,2'-diyl)bis[(2R,3R)-5,7-dihydroxy-3,4-dihydro-2H-chromene-2,3-diyl] bis(3,4,5-trihydroxybenzoate)
Synonyms  Source
(4,4',5,5',6,6'-hexahydroxy[1,1'-biphenyl]-2,2'-diyl)bis{[(2R,3R)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-2,3-diyl]} bis(3,4,5-trihydroxybenzoate)IUPAC
theasinensin AKEGG COMPOUND
Manual XrefsDatabases
390965ChemSpider
C00001010KNApSAcK
C09972KEGG COMPOUND
FDB018261FooDB
HMDB0038360HMDB
LMPK12030006LIPID MAPS
Theasinensin_AWikipedia
Registry NumbersSources
CAS:89064-31-3KEGG COMPOUND
Citations