Name: Neochlorogenic acid methyl ester
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT214312280
Cas No:123410-65-1
常用名:Neochlorogenic acid methyl ester
常用名:Neochlorogenic acid methyl ester
别名:新绿原酸甲酯, Methyl neochlorogenate, Methyl 3-caffeoylquinate, 5-O-Caffeoylquinic acid methyl ester
别名:新绿原酸甲酯, Methyl neochlorogenate, Methyl 3-caffeoylquinate, 5-O-Caffeoylquinic acid methyl ester
IUPAC:methyl (1R,3R,4S,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylate
IUPAC:methyl (1R,3R,4S,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylate
InChI key:MZNIJRAPCCELQX-NYCIAPANSA-N

分子式:C17H20O9
分子量:368.338
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COC(=O)[C@@]1(O)C[C@@H](O)[C@H](O)[C@@H](C1)OC(=O)\C=C\c1ccc(O)c(O)c1
SMILES:COC(=O)[C@@]1(O)C[C@@H](O)[C@H](O)[C@@H](C1)OC(=O)\C=C\c1ccc(O)c(O)c1

Neochlorogenic acid methyl ester (5-O-Caffeoylquinic acid methyl ester) 来源于毛蒿和黑色苦莓(Aronia melanocarpa)果实。Neochlorogenic acid methyl ester 显示出抗 HBV 活性、抗氧化活性和醌还原酶活性，CD 为 6.7 μM。

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