Name: (Rac)-Rosmarinic acid
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT213884234
Cas No:537-15-5;179462-74-9
常用名:(Rac)-Rosmarinic acid
别名:Rosmarinic acid racemate, Rosemary acid, Labiatenic acid racemate, (Rac)-迷迭香素, (Rac)-Labiatenic acid, (R)-rosmarinic acid
别名:Rosmarinic acid racemate, Rosemary acid, Labiatenic acid racemate, (Rac)-迷迭香素, (Rac)-Labiatenic acid, (R)-rosmarinic acid
IUPAC:3-(3,4-dihydroxyphenyl)-2-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propanoic acid
IUPAC:3-(3,4-dihydroxyphenyl)-2-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propanoic acid
InChI key:DOUMFZQKYFQNTF-UHFFFAOYSA-N

分子式:C18H16O8
分子量:360.318
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:OC(=O)C(Cc1ccc(O)c(O)c1)OC(=O)C=Cc1ccc(O)c(O)c1 |w:16.16|
SMILES:OC(=O)C(Cc1ccc(O)c(O)c1)OC(=O)C=Cc1ccc(O)c(O)c1 |w:16.16|

(Rac)-Rosmarinic acid是Rosmarinate acid的异构体。Rosmarinate acid(Rosemary acid) 抑制 MAO-A、MAO-B 和 COMT 酶，IC50 分别为 50.1、184.6 和 26.7 μM。

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