Flavocoxid
(2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
Molecular Identity
Flavocoxid
(2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxane-2-carboxylic acid;(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
PubChem CID: 75905632
2D Structure
Properties
C36H32O17
Molecular Formula
736.60
Molecular Weight
g/mol
736.1639
Exact Mass
Da
294
TPSA
May have limited oral absorption
11
H-Bond Donors
17
H-Bond Acceptors
1110
Complexity
SMILES
Canonical SMILES
SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O.C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)OIsomeric SMILES
SMILES: C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O.C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)OSynonyms(11)
FlavocoxidLimbrelRefChem:599278BAICALIN-CATECHIN MIXTUREFlexileRxBaicalin / catechinCatechin / baicalinUNII-KDQ7F67CVTKDQ7F67CVT1206488-21-2SCHEMBL29410272
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Flavocoxid
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