MetaADEDB 2.0 @ LMMD
theaflavin
(IPMYMEWFZKHGAX-ZKSIBHASSA-N)
Structure
SMILES
Oc1cc2O[C@@H]([C@@H](Cc2c(c1)O)O)c1cc2c(cc(c(c2c(=O)c(c1)O)O)O)[C@H]1Oc2cc(O)cc(c2C[C@H]1O)O
Molecular Formula:
C29H24O12
Molecular Weight:
564.494
Log P:
2.2134
Hydrogen Bond Acceptor:
12
Hydrogen Bond Donor:
9
TPSA:
217.6
CAS Number(s):
4670-05-7
Synonym(s)
1.
theaflavin
External Link(s)
MeSHC056068
PubChem Compound135403798
114777
ChEBI136609
CHEMBLCHEMBL346119
ZINC3978446
Adverse Drug Event(s)
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