Name: 3,4,5-Tricaffeoylquinic acid
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT212665154
Cas No:86632-03-3
常用名:3,4,5-Tricaffeoylquinic acid
别名:3,4,5-三咖啡酰奎宁酸
IUPAC:(1S,3R,4S,5R)-3,4,5-tris({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1-hydroxycyclohexane-1-carboxylic acid
IUPAC:(1S,3R,4S,5R)-3,4,5-tris({[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-1-hydroxycyclohexane-1-carboxylic acid
InChI key:OAFXTKGAKYAFSI-YOWOTECTSA-N

分子式:C34H30O15
分子量:678.599
氢键供体数 (HBD):8
氢键受体数 (HBA):12
LogP:4.5849905
SMILES:OC(=O)[C@@]1(O)C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H](C1)OC(=O)\C=C\c1ccc(O)c(O)c1 |wU:3.2,6.6,wD:3.3,20.21,34.38,(6.51,-6.02,;4.99,-5.75,;4.46,-4.3,;4,-6.93,;3.01,-5.75,;5.33,-7.7,;5.33,-9.24,;6.67,-10.01,;8,-9.24,;8,-7.7,;9.34,-10.01,;10.67,-9.24,;12,-10.01,;13.34,-9.24,;14.67,-10.01,;14.67,-11.55,;16,-12.32,;13.34,-12.32,;13.34,-13.86,;12,-11.55,;4,-10.01,;4,-11.55,;5.33,-12.32,;6.67,-11.55,;5.33,-13.86,;6.67,-14.63,;6.67,-16.17,;8,-16.94,;8,-18.48,;6.67,-19.25,;6.67,-20.79,;5.33,-18.48,;4,-19.25,;5.33,-16.94,;2.67,-9.24,;2.67,-7.7,;1.33,-10.01,;1.33,-11.55,;2.67,-12.32,;,-12.32,;,-13.86,;-1.33,-14.63,;-1.33,-16.17,;-2.67,-16.94,;-4,-16.17,;-5.33,-16.94,;-4,-14.63,;-5.33,-13.86,;-2.67,-13.86,)|
SMILES:OC(=O)[C@@]1(O)C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H](C1)OC(=O)\C=C\c1ccc(O)c(O)c1 |wU:3.2,6.6,wD:3.3,20.21,34.38,(6.51,-6.02,;4.99,-5.75,;4.46,-4.3,;4,-6.93,;3.01,-5.75,;5.33,-7.7,;5.33,-9.24,;6.67,-10.01,;8,-9.24,;8,-7.7,;9.34,-10.01,;10.67,-9.24,;12,-10.01,;13.34,-9.24,;14.67,-10.01,;14.67,-11.55,;16,-12.32,;13.34,-12.32,;13.34,-13.86,;12,-11.55,;4,-10.01,;4,-11.55,;5.33,-12.32,;6.67,-11.55,;5.33,-13.86,;6.67,-14.63,;6.67,-16.17,;8,-16.94,;8,-18.48,;6.67,-19.25,;6.67,-20.79,;5.33,-18.48,;4,-19.25,;5.33,-16.94,;2.67,-9.24,;2.67,-7.7,;1.33,-10.01,;1.33,-11.55,;2.67,-12.32,;,-12.32,;,-13.86,;-1.33,-14.63,;-1.33,-16.17,;-2.67,-16.94,;-4,-16.17,;-5.33,-16.94,;-4,-14.63,;-5.33,-13.86,;-2.67,-13.86,)|

3,4,5-Tricaffeoylquinic acid may attenuate the TNF-α±- and LPS-stimulated production of inflammatory mediators in keratinocytes by suppressing the Toll-like receptor 4 expression-mediated activation of the Akt, ERK and NF-κB pathways, it may exert an inhibitory effect against the pro-inflammatory mediator-induced skin disease.

市场产品/服务共显示1个结果

供应商
TargetMolSC
规格
货期
纯度
-
¥ 8,300.00
1

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