CAS号:775351-88-7-- - Corylifol A-科华智慧

1. 主信息

英文名:	Corylifol A
中文名:	-
CAS编号:	775351-88-7
化学分子式：	C₂₅H₂₆O₄
化学分子量：	390.5 g/mol
SMILES：	CC(=CCCC(=CCC1=C(C=CC(=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O)C)C
来源：	补骨脂
结构类型：	异黄酮类/二氢异黄酮类
其它名称或标识：	corylifol A

2. 供应商与价格

供应商	包装规格	含量	价格(元)	购买	环境要求	货期	说明
科华智慧	20mg	HPLC≥98%	1300	点击购买	2-8℃	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 55 57 0 0 0 0 0 0 0999 V2000 3.9612 -1.7952 -0.0037 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7583 -2.7913 -0.0486 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1818 1.1875 0.1602 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5328 1.3330 0.0252 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8549 -1.0831 -2.1644 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6253 2.3595 -1.3028 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9621 -1.5533 -1.0432 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6007 1.3283 -1.7273 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8039 -0.0040 -1.7236 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2116 -1.5757 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4939 2.7961 0.1624 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6277 -1.1482 -1.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6203 -1.1497 0.0369 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4574 -2.3860 -0.0397 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2838 -2.4083 1.0145 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2901 1.8888 -2.2171 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0082 0.2869 0.0909 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6182 -2.8135 0.9893 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4538 0.5771 0.0712 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7869 1.6797 1.1261 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3585 -0.4830 0.0262 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6117 -2.0524 -0.0063 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9783 1.1610 2.0694 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9164 1.8952 0.1013 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7307 -0.2312 0.0114 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2893 2.1446 0.0857 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1948 1.0839 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3377 0.0402 3.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5918 1.7132 2.2689 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4415 -1.9337 -2.5371 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2643 -0.7776 -3.0352 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6338 1.9577 -1.4711 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5512 3.2401 -1.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7723 -0.3615 -1.3755 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2326 3.5865 0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5198 3.2647 0.3236 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2362 -0.5106 -1.8067 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3528 -2.7478 1.8282 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4761 2.6544 -2.9787 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6146 1.1661 -2.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7557 2.3618 -1.3864 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9914 -3.4605 1.7786 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7851 1.2525 1.0353 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4535 -3.1228 -0.0563 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2281 2.7350 0.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4378 -1.0562 -0.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6415 3.1726 0.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6673 -0.8122 2.8543 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3623 -0.3084 2.8361 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2612 0.3708 4.0433 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9070 0.9107 2.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1534 2.1468 1.3675 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5948 2.4655 3.0639 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9204 -3.3553 0.7269 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6747 2.2949 0.0499 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 14 1 0 0 0 0 2 54 1 0 0 0 0 3 17 2 0 0 0 0 4 27 1 0 0 0 0 4 55 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 7 12 1 0 0 0 0 7 14 2 0 0 0 0 8 9 2 0 0 0 0 8 16 1 0 0 0 0 9 34 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 10 15 1 0 0 0 0 11 20 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 37 1 0 0 0 0 13 17 1 0 0 0 0 13 22 2 0 0 0 0 14 18 1 0 0 0 0 15 18 2 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 19 1 0 0 0 0 18 42 1 0 0 0 0 19 21 2 0 0 0 0 19 24 1 0 0 0 0 20 23 2 0 0 0 0 20 43 1 0 0 0 0 21 25 1 0 0 0 0 22 44 1 0 0 0 0 23 28 1 0 0 0 0 23 29 1 0 0 0 0 24 26 2 0 0 0 0 24 45 1 0 0 0 0 25 27 2 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

3-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-hydroxyphenyl]-7-hydroxychromen-4-one

4.2 InChl

InChI=1S/C25H26O4/c1-16(2)5-4-6-17(3)7-8-19-13-18(9-12-23(19)27)22-15-29-24-14-20(26)10-11-21(24)25(22)28/h5,7,9-15,26-27H,4,6,8H2,1-3H3/b17-7+

4.3 InChlKey

ZBHUUXLHDOUMKM-REZTVBANSA-N

4.4 Canonical SMILES

CC(=CCCC(=CCC1=C(C=CC(=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O)C)C

4.5 lsomeric SMILES

CC(=CCC/C(=C/CC1=C(C=CC(=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O)/C)C

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 29 31 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -2.59808 -9.5 0 0
M  V30 2 C -3.4641 -9 0 0
M  V30 3 C -3.4641 -8 0 0
M  V30 4 C -2.59808 -7.5 0 0
M  V30 5 C -2.59808 -6.5 0 0
M  V30 6 C -3.4641 -6 0 0
M  V30 7 C -3.4641 -5 0 0
M  V30 8 C -4.33013 -4.5 0 0
M  V30 9 C -4.33013 -3.5 0 0
M  V30 10 C -5.19615 -3 0 0
M  V30 11 C -5.19615 -2 0 0
M  V30 12 C -4.33013 -1.5 0 0
M  V30 13 C -3.4641 -2 0 0
M  V30 14 C -3.4641 -3 0 0
M  V30 15 C -2.59808 -1.5 0 0
M  V30 16 C -2.59808 -0.5 0 0
M  V30 17 O -1.73205 -3.33067e-15 0 0
M  V30 18 C -0.866025 -0.5 0 0
M  V30 19 C -0.866025 -1.5 0 0
M  V30 20 C -1.73205 -2 0 0
M  V30 21 O -1.73205 -3 0 0
M  V30 22 C 5.32907e-15 -2 0 0
M  V30 23 C 0.866025 -1.5 0 0
M  V30 24 C 0.866025 -0.5 0 0
M  V30 25 C -0 -0 0 0
M  V30 26 O 1.73205 2.88658e-15 0 0
M  V30 27 O -6.06218 -3.5 0 0
M  V30 28 C -4.33013 -6.5 0 0
M  V30 29 C -4.33013 -9.5 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 2 29
M  V30 4 1 3 4
M  V30 5 1 4 5
M  V30 6 1 5 6
M  V30 7 2 6 7
M  V30 8 1 6 28
M  V30 9 1 7 8
M  V30 10 1 8 9
M  V30 11 1 9 14
M  V30 12 2 9 10
M  V30 13 1 10 11
M  V30 14 1 10 27
M  V30 15 2 11 12
M  V30 16 1 12 13
M  V30 17 2 13 14
M  V30 18 1 13 15
M  V30 19 1 15 20
M  V30 20 2 15 16
M  V30 21 1 16 17
M  V30 22 1 17 18
M  V30 23 1 18 25
M  V30 24 2 18 19
M  V30 25 1 19 20
M  V30 26 1 19 22
M  V30 27 2 20 21
M  V30 28 2 22 23
M  V30 29 1 23 24
M  V30 30 2 24 25
M  V30 31 1 24 26
M  V30 END BOND
M  V30 END CTAB
M  END

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5. 波谱数据

5.1 ¹³C核磁共振谱(¹³C NMR)

5.2 ¹H核磁共振谱(¹H NMR)

5.3 质谱(MS)

补充中

5.4 红外光谱(IR)

补充中

5.5 紫外/可见光谱(UV/Vis)

补充中

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6. 相关药材

中文名称

英文名称

拉丁文名称

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7. 相关靶点

基因靶点

靶点位置

参考文献

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8. 相关疾病

疾病名称

疾病类型