Name: Chrysophanol-1-O-β-gentiobioside
Rating: 5 (10 reviews)

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HIT ID:HIT213884806
Cas No:54944-38-6
常用名:Chrysophanol-1-O-β-gentiobioside
常用名:Chrysophanol-1-O-β-gentiobioside
IUPAC:8-hydroxy-3-methyl-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dione
IUPAC:8-hydroxy-3-methyl-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-9,10-dihydroanthracene-9,10-dione
InChI key:FKODDFZWQVWOAW-ONMHTNRHSA-N

分子式:C27H30O14
分子量:578.523
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cc1cc(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c2C(=O)c3c(O)cccc3C(=O)c2c1
SMILES:Cc1cc(O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c2C(=O)c3c(O)cccc3C(=O)c2c1

Chrysophanol-1-O-β-gentiobioside, an anthraquinone glycoside obtained from the seeds of Cassia obtusifolia, exhibits targeted inhibition of hMAO-A isozyme activity with an IC50 value of 96.15 μM.

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