Name: 1,3,5-Tricaffeoylquinic acid
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214314708
Cas No:1073897-80-9
常用名:1,3,5-Tricaffeoylquinic acid
别名:1,3,5-三咖啡酰奎宁酸
IUPAC:(1S,3R,4S,5R)-1,3,5-tris({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-4-hydroxycyclohexane-1-carboxylic acid
IUPAC:(1S,3R,4S,5R)-1,3,5-tris({[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy})-4-hydroxycyclohexane-1-carboxylic acid
InChI key:MSKVJEAKVWAQTA-UPHZGLEOSA-N

分子式:C34H30O15
分子量:678.599
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:O[C@H]1[C@@H](C[C@](C[C@H]1OC(=O)C=Cc1ccc(O)c(O)c1)(OC(=O)C=Cc1ccc(O)c(O)c1)C(O)=O)OC(=O)C=Cc1ccc(O)c(O)c1 |w:23.24,39.41,10.10,wU:4.21,1.0,6.7,wD:4.35,2.38,(.34,-5.24,;-.65,-6.42,;-.13,-7.86,;-1.12,-9.04,;-2.63,-8.78,;-3.16,-7.33,;-2.17,-6.15,;-2.7,-4.7,;-1.71,-3.52,;-.19,-3.79,;-2.23,-2.07,;-3.75,-1.81,;-4.28,-.36,;-3.29,.82,;-3.81,2.27,;-5.33,2.53,;-5.86,3.98,;-6.32,1.35,;-7.84,1.62,;-5.79,-.09,;-2.63,-10.32,;-1.3,-11.09,;.03,-10.32,;-1.3,-12.63,;-2.63,-13.4,;-2.63,-14.94,;-3.97,-15.71,;-3.97,-17.25,;-2.63,-18.02,;-2.63,-19.56,;-1.3,-17.25,;.03,-18.02,;-1.3,-15.71,;-4.15,-9.04,;-5.14,-7.86,;-4.68,-10.49,;1.39,-8.13,;2.38,-6.95,;3.9,-7.22,;1.85,-5.5,;2.84,-4.32,;2.32,-2.88,;3.31,-1.7,;2.78,-.25,;1.26,.02,;.74,1.46,;.27,-1.16,;-1.24,-.9,;.8,-2.61,)|
SMILES:O[C@H]1[C@@H](C[C@](C[C@H]1OC(=O)C=Cc1ccc(O)c(O)c1)(OC(=O)C=Cc1ccc(O)c(O)c1)C(O)=O)OC(=O)C=Cc1ccc(O)c(O)c1 |w:23.24,39.41,10.10,wU:4.21,1.0,6.7,wD:4.35,2.38,(.34,-5.24,;-.65,-6.42,;-.13,-7.86,;-1.12,-9.04,;-2.63,-8.78,;-3.16,-7.33,;-2.17,-6.15,;-2.7,-4.7,;-1.71,-3.52,;-.19,-3.79,;-2.23,-2.07,;-3.75,-1.81,;-4.28,-.36,;-3.29,.82,;-3.81,2.27,;-5.33,2.53,;-5.86,3.98,;-6.32,1.35,;-7.84,1.62,;-5.79,-.09,;-2.63,-10.32,;-1.3,-11.09,;.03,-10.32,;-1.3,-12.63,;-2.63,-13.4,;-2.63,-14.94,;-3.97,-15.71,;-3.97,-17.25,;-2.63,-18.02,;-2.63,-19.56,;-1.3,-17.25,;.03,-18.02,;-1.3,-15.71,;-4.15,-9.04,;-5.14,-7.86,;-4.68,-10.49,;1.39,-8.13,;2.38,-6.95,;3.9,-7.22,;1.85,-5.5,;2.84,-4.32,;2.32,-2.88,;3.31,-1.7,;2.78,-.25,;1.26,.02,;.74,1.46,;.27,-1.16,;-1.24,-.9,;.8,-2.61,)|

1,3,5-Tricaffeoylquinic acid is a derivative of tricaffeoylquinic acid isolated from *Helichrysum populifolium* and exhibits anti-HIV activity.

市场产品/服务共显示1个结果

供应商
TargetMolSC
规格
货期
5日内发货
纯度
-
¥ 8,780.00
1

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