CAS号:577-38-8-黄诺马苷 - Flavanomarein-科华智慧

1. 主信息

英文名:	Flavanomarein
中文名:	黄诺马苷
CAS编号:	577-38-8
化学分子式：	C₂₁H₂₂O₁₁
化学分子量：	450.4 g/mol
SMILES：	C1C(OC2=C(C1=O)C=CC(=C2O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC(=C(C=C4)O)O
来源：	-
结构类型：	二氢黄酮类
其它名称或标识：	-

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	5mg	HPLC≥98%	1088	点击购买	2-8℃	现货	-
科华智慧	10mg	HPLC≥98%	2080	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 54 57 0 1 0 0 0 0 0999 V2000 3.3709 -0.6462 -0.3411 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6168 0.7326 1.3836 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9532 -1.2866 1.5626 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6935 -1.8881 -1.2529 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2840 1.0327 2.2802 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8296 -1.4360 -2.9178 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9979 0.2261 0.3695 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2251 -0.6347 1.6388 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9240 3.4956 -2.1073 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8669 -2.8660 -1.2108 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6937 -2.3579 0.8217 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0529 -0.6074 0.6859 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5996 -1.5982 -0.3866 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8640 -0.0778 1.4878 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4442 -1.0197 -1.2069 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7365 0.3898 0.5676 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8974 -2.0345 -2.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4995 1.1707 0.7346 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1843 1.0040 0.1459 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1708 1.6365 -1.2443 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8455 0.9486 0.1973 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7615 2.0835 -0.6147 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2916 0.4836 0.8595 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9535 2.5149 -1.3734 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5752 2.3159 -0.0591 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3882 0.1030 0.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4465 2.7739 -0.7397 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5804 -0.9804 -0.5325 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3041 0.3582 1.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6899 -1.8097 -0.3689 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4136 -0.4711 1.5078 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6064 -1.5551 0.6513 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6188 0.2210 0.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3004 -2.5396 0.0903 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5028 -0.8450 2.1831 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7647 -0.1309 -1.7677 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0645 1.2763 0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5051 -2.9231 -1.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6598 -2.3457 -2.9258 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6887 -1.6220 1.0217 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9612 -1.0597 -1.6861 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6105 1.7251 1.6805 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2139 1.7937 0.9113 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0673 2.2489 -1.3933 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1112 0.8935 -2.0475 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5027 2.8738 -0.1526 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1623 -1.1568 -2.2677 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5293 3.6601 -1.3626 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8633 -1.1912 -1.3218 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1676 1.1986 2.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6862 -0.9742 1.6097 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1240 -0.2674 2.3044 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1367 -2.8861 -1.8529 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6683 -3.0552 0.1435 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 16 1 0 0 0 0 2 18 1 0 0 0 0 3 12 1 0 0 0 0 3 40 1 0 0 0 0 4 13 1 0 0 0 0 4 41 1 0 0 0 0 5 14 1 0 0 0 0 5 42 1 0 0 0 0 6 17 1 0 0 0 0 6 47 1 0 0 0 0 7 19 1 0 0 0 0 7 21 1 0 0 0 0 8 23 1 0 0 0 0 8 51 1 0 0 0 0 9 24 2 0 0 0 0 10 30 1 0 0 0 0 10 53 1 0 0 0 0 11 32 1 0 0 0 0 11 54 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 33 1 0 0 0 0 13 15 1 0 0 0 0 13 34 1 0 0 0 0 14 16 1 0 0 0 0 14 35 1 0 0 0 0 15 17 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 23 2 0 0 0 0 18 25 1 0 0 0 0 19 20 1 0 0 0 0 19 26 1 0 0 0 0 19 43 1 0 0 0 0 20 24 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 27 1 0 0 0 0 25 27 2 0 0 0 0 25 46 1 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 27 48 1 0 0 0 0 28 30 1 0 0 0 0 28 49 1 0 0 0 0 29 31 2 0 0 0 0 29 50 1 0 0 0 0 30 32 2 0 0 0 0 31 32 1 0 0 0 0 31 52 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

(2S)-2-(3,4-dihydroxyphenyl)-8-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one

4.2 InChl

InChI=1S/C21H22O11/c22-7-15-16(26)18(28)19(29)21(32-15)31-13-4-2-9-11(24)6-14(30-20(9)17(13)27)8-1-3-10(23)12(25)5-8/h1-5,14-16,18-19,21-23,25-29H,6-7H2/t14-,15+,16+,18-,19+,21+/m0/s1

4.3 InChlKey

DGGOLFCPSUVVHX-RTHJTPBESA-N

4.4 Canonical SMILES

C1C(OC2=C(C1=O)C=CC(=C2O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC(=C(C=C4)O)O

4.5 lsomeric SMILES

C1[C@H](OC2=C(C1=O)C=CC(=C2O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C4=CC(=C(C=C4)O)O

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 32 35 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C -0.866025 2.5 0 0
M  V30 2 C -0.866025 1.5 0 0
M  V30 3 O -1.73205 1 0 0
M  V30 4 C -2.59808 1.5 0 0
M  V30 5 C -2.59808 2.5 0 0
M  V30 6 C -1.73205 3 0 0
M  V30 7 O -1.73205 4 0 0
M  V30 8 C -3.4641 3 0 0
M  V30 9 C -4.33013 2.5 0 0
M  V30 10 C -4.33013 1.5 0 0
M  V30 11 C -3.4641 1 0 0
M  V30 12 O -3.4641 8.88178e-16 0 0
M  V30 13 O -5.19615 1 0 0
M  V30 14 C -6.06218 1.5 0 0
M  V30 15 C -6.9282 1 0 0
M  V30 16 C -7.79423 1.5 0 0
M  V30 17 C -7.79423 2.5 0 0
M  V30 18 C -6.9282 3 0 0
M  V30 19 O -6.06218 2.5 0 0
M  V30 20 C -6.9282 4 0 0
M  V30 21 O -7.79423 4.5 0 0
M  V30 22 O -8.66025 3 0 0
M  V30 23 O -8.66025 1 0 0
M  V30 24 O -6.9282 4.44089e-16 0 0
M  V30 25 C -2.77556e-16 1 0 0
M  V30 26 C 0.866025 1.5 0 0
M  V30 27 C 1.73205 1 0 0
M  V30 28 C 1.73205 1.11022e-16 0 0
M  V30 29 C 0.866025 -0.5 0 0
M  V30 30 C 0 -0 0 0
M  V30 31 O 2.59808 -0.5 0 0
M  V30 32 O 2.59808 1.5 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 6
M  V30 2 1 1 2
M  V30 3 1 2 3
M  V30 4 1 2 25
M  V30 5 1 3 4
M  V30 6 1 4 11
M  V30 7 2 4 5
M  V30 8 1 5 6
M  V30 9 1 5 8
M  V30 10 2 6 7
M  V30 11 2 8 9
M  V30 12 1 9 10
M  V30 13 2 10 11
M  V30 14 1 10 13
M  V30 15 1 11 12
M  V30 16 1 13 14
M  V30 17 1 14 19
M  V30 18 1 14 15
M  V30 19 1 15 16
M  V30 20 1 15 24
M  V30 21 1 16 17
M  V30 22 1 16 23
M  V30 23 1 17 18
M  V30 24 1 17 22
M  V30 25 1 18 19
M  V30 26 1 18 20
M  V30 27 1 20 21
M  V30 28 1 25 30
M  V30 29 2 25 26
M  V30 30 1 26 27
M  V30 31 2 27 28
M  V30 32 1 27 32
M  V30 33 1 28 29
M  V30 34 1 28 31
M  V30 35 2 29 30
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