30802-00-7 (4-Coumaroyl-CoA,Coenzyme A, S-[3-(4-hydroxyphenyl)-2-propenoate])

CAS号:
30802-00-7
中文名称:
4-Coumaroyl-CoA
英文名称:
Coenzyme A, S-[3-(4-hydroxyphenyl)-2-propenoate]
分子式:
C30H42N7O18P3S
分子量:
913.68

4-Coumaroyl-CoA(30802-00-7)名称与标识符

名称

英文别名:
p- Coumaroylcoenzyme A ; p-Coumaroyl-CoA; 4-Coumaroylcoenzyme A; 4-Coumaroyl-CoA;Coenzyme A, S-ester with p-hydroxythiocinnamic acid (8CI);Coenzyme A, S-[3-(4-hydroxyphenyl)-2-propenoate];4-Coumaroyl-CoA;4-Coumaroylcoenzyme A;p-Coumaroyl-CoA;p-Coumaroylcoenzyme A;4-Coumaroyl-coenzyme A;4-Hydroxycinnamoyl-CoA;C00223;

标识符

InChIKey:
DMZOKBALNZWDKI-VMPITWQZSA-N
Inchi:
InChI=1S/C30H42N7O18P3S/c1-30(2,25(42)28(43)33-10-9-20(39)32-11-12-59-21(40)8-5-17-3-6-18(38)7-4-17)14-52-58(49,50)55-57(47,48)51-13-19-24(54-56(44,45)46)23(41)29(53-19)37-16-36-22-26(31)34-15-35-27(22)37/h3-8,15-16,19,23-25,29,38,41-42H,9-14H2,1-2H3,(H,32,39)(H,33,43)(H,47,48)(H,49,50)(H2,31,34,35)(H2,44,45,46)/b8-5+
SMILES:
CC(C)(COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)n1cnc2c(N)ncnc12)C(O)C(=O)NCCC(=O)NCCSC(=O)\C=C\c1ccc(O)cc1

4-Coumaroyl-CoA(30802-00-7)物化性质

计算特性

  • 氢键供体数量 : 10
  • 氢键受体数量 : 25
  • 重原子数量 : 59
  • 疏水参数计算参考值(XlogP) : -6.193

4-Coumaroyl-CoA(30802-00-7)推荐厂家 更多厂家(1)

公司名称手机号/电话联系人QQ微信询单
上海楷森生物科技有限公司 17558870519
175-58870519
赵经理 3003926540
询单

4-Coumaroyl-CoA(30802-00-7)合成路线

合成路线:3 步
反应条件:
参考文献:
Integrated transcriptomic and metabolomic analysis provides insight into the regulation of leaf senescence in rice
By Xue, Jiao et al, Scientific Reports, 2021, 11(1), 14083
合成路线:3 步
反应条件:
参考文献:
Accumulation of phenolics, antioxidant and antiproliferative activity of sweet corn (Zea mays L.) during kernel maturation
By Hu, Xiaodan et al, International Journal of Food Science and Technology, 2021, 56(5), 2462-2470
合成路线:1 步
反应条件:
参考文献:
Combinatorial synthesis of flavonoids and 4-hydroxy-δ-lactones by plant-originated enzymes
By Mo, Ting et al, Youji Huaxue, 2015, 35(5), 1052-1059
合成路线:1 步
反应条件:
参考文献:
A standard reaction condition and a single HPLC separation system are sufficient for estimation of monolignol biosynthetic pathway enzyme activities
By Liu, Jie et al, Planta, 2012, 236(3), 879-885
合成路线:1 步
反应条件:
参考文献:
Combinatorial mutasynthesis of flavonoid analogues from acrylic acids in microorganisms
By Chemler, Joseph A. et al, Organic Letters, 2007, 9(10), 1855-1858
合成路线:2 步
反应条件:
参考文献:
Synthesis of S-phenyl p-hydroxythiocinnamates as precursors of S-CoA esters
By Duran, Elisabeth et al, Bulletin de la Societe Chimique de France, 1987, (1), 143-8