Name: 7-O-Methylrutin
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HIT ID:HIT103645318
Cas No:34202-83-0
Common Name:7-O-Methylrutin
IUPAC:2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-4-one
IUPAC:2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-4-one
InChIKey:LVRWOUXRNRBDNV-GEBJFKNCSA-N

Molecular Formula:C28H32O16
Molecular Weight:624.548
Hydrogen Bond Donor (HBD):9
Hydrogen Bond Acceptor (HBA):16
LogP:-0.723
SMILES:COc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O[C@@H]1O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O)c2=O
SMILES:COc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O[C@@H]1O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O)c2=O

7-O-Methylrutin is a natural product exhibiting inhibitory activity against aldose reductase 1 (IC₅₀=21 µM).

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