Substance

ID:1861317

Names and Identifiers
IUPAC name
3,4,5-trihydroxy-1,8-bis[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl]-6H-benzo[7]annulen-6-one
IUPAC Traditional name
theaflavin
Synonyms
theaflavin(-)-theaflavin1,8-bis((2R,3R)-3,5,7-trihydroxy-2H-1-benzopyran-2-yl)-3,4,6-trihydroxy-5H-benzocyclohepten-5-one1,8-bis(3-alpha,5,7-trihydroxy-2-alpha-chromanyl)-5H-benzocyclohepten-5-one3,4,5-trihydroxy-1,8-bis[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]-6H-benzo[7]annulen-6-onetheaflavine
Registration numbers
CAS Number
4670-05-7
Wikipedia Title
Theaflavin
KNApSAcK Database
C00009348
Reaxys Registry
25497520
ACToR Database
4670-05-7
CompTox Database
DTXSID40196916
MetaboLights Database
MTBLS403
SureChEMBL Database
SCHEMBL19551
Chemspider ID
102,754
FooDB Database
FDB012511
HMDB Database
HMDB0005788
NMRShiftDB Database
20173440
Patent number
KR20080052675
BindingDB Database
50487716
CHEBI ID
CHEBI:136609
PubChem CID
135403798
PubChem SID
85336343
Properties
No Data Available
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Molecule Details
A biflavonoid that is 3,4,5-trihydroxybenzocyclohepten-6-one which is substituted at positions 1 and 8 by (2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl groups. It is the main red pigment in black tea.
Molecular Spectra
No Data Available
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References
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