Name: Gardenolic acid B
Rating: 5 (10 reviews)

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HIT ID:HIT214317107
Cas No:108864-53-5
常用名:Gardenolic acid B
别名:枙子花乙酸
IUPAC:(1S,3S,4S,6S,7S,8R,11S,12S,15R,16R)-4,6-dihydroxy-7,12,16-trimethyl-15-[(2R)-6-methyl-4-oxohept-5-en-2-yl]pentacyclo[9.7.0.0^{1,3}.0^{3,8}.0^{12,16}]octadecane-7-carboxylic acid
IUPAC:(1S,3S,4S,6S,7S,8R,11S,12S,15R,16R)-4,6-dihydroxy-7,12,16-trimethyl-15-[(2R)-6-methyl-4-oxohept-5-en-2-yl]pentacyclo[9.7.0.0^{1,3}.0^{3,8}.0^{12,16}]octadecane-7-carboxylic acid
InChI key:TTYDGCKGPQOMOK-SESPQYOESA-N

分子式:C30H46O5
分子量:486.693
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]1([#6]-[#6][C@@]2([#6])[C@]3([H])[#6]-[#6][C@]4([H])[C@]5([#6][C@@]35[#6]-[#6][C@]12[#6])[#6@@H](-[#8])-[#6]-[#6@H](-[#8])[C@@]4([#6])[#6](-[#8])=O)[#6@H](-[#6])-[#6]-[#6](=O)\[#6]=[#6](\[#6])-[#6]
SMILES:[H][C@@]1([#6]-[#6][C@@]2([#6])[C@]3([H])[#6]-[#6][C@]4([H])[C@]5([#6][C@@]35[#6]-[#6][C@]12[#6])[#6@@H](-[#8])-[#6]-[#6@H](-[#8])[C@@]4([#6])[#6](-[#8])=O)[#6@H](-[#6])-[#6]-[#6](=O)\[#6]=[#6](\[#6])-[#6]

Gardenolic acid B shows promising hepatoprotective effects on nitrofurantoin-induced cytotoxicity in human liver-derived Hep G2 cells. Gardenolic acid B shows significant effects on terminating early pregnancy in rats.

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