CAS号:4773-96-0-芒果苷 - Mangiferin-科华智慧

1. 主信息

英文名:	Mangiferin
中文名:	芒果苷
CAS编号:	4773-96-0
化学分子式：	C₁₉H₁₈O₁₁
化学分子量：	422.3 g/mol
SMILES：	C1=C2C(=CC(=C1O)O)OC3=C(C2=O)C(=C(C(=C3)O)C4C(C(C(C(O4)CO)O)O)O)O
来源：	土沉香射干知母川西獐牙菜木棉
结构类型：	呫吨酮类
其它名称或标识：	2-beta-D-glucopyranosyl-1,3,6,7-tetrahydroxy-9H-xanthen-9-one 9H-xanthen-9-one, 2-beta-D-glucopyranosyl-1,3,6,7-tetrahydroxy- alpizarin chinonin mangiferin

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%	80	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 48 51 0 1 0 0 0 0 0999 V2000 3.3049 0.4997 -0.8857 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8032 -0.9893 2.4310 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5967 -1.6340 1.7860 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7980 0.4608 0.2131 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3253 2.3245 -2.6672 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4214 1.7086 1.2171 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6518 -1.4060 -0.8826 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0202 -2.1108 -1.1523 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1770 2.0140 1.3130 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1602 1.3671 0.7103 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3658 -0.9659 -0.7833 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3991 -0.8639 1.1401 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8764 -0.4971 1.3068 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6480 0.2226 0.3552 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4973 -0.0716 -0.0236 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6352 0.9891 -0.7106 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2232 -0.1888 0.0397 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1759 1.3504 -2.0902 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 0.5850 0.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9858 -1.3442 -0.7052 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1537 0.1945 0.1936 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3963 -0.9597 -0.5507 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3221 -1.7302 -1.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3007 0.9904 0.6568 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6367 0.4959 0.2906 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7349 -0.6759 -0.4591 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7866 1.1847 0.6852 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9934 -1.1634 -0.8176 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0410 0.6928 0.3239 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1446 -0.4789 -0.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3559 -1.8580 0.6922 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0038 0.2893 2.0609 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6503 1.1473 0.9446 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6149 -0.9511 -0.6686 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5919 1.9098 -0.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1879 0.4811 -2.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1863 1.7654 -2.0337 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8653 -0.1274 2.8769 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1785 -1.9119 2.6189 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7027 1.2476 0.7766 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5030 -2.6317 -1.5812 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4304 1.9459 -2.7088 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3991 2.1567 1.4723 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7885 -1.5408 -1.3235 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7124 2.0982 1.2696 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0707 -2.0770 -1.4024 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8977 2.1525 1.2205 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2437 -1.7819 -1.2981 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 16 1 0 0 0 0 2 12 1 0 0 0 0 2 38 1 0 0 0 0 3 13 1 0 0 0 0 3 39 1 0 0 0 0 4 15 1 0 0 0 0 4 40 1 0 0 0 0 5 18 1 0 0 0 0 5 42 1 0 0 0 0 6 19 1 0 0 0 0 6 43 1 0 0 0 0 7 22 1 0 0 0 0 7 26 1 0 0 0 0 8 20 1 0 0 0 0 8 44 1 0 0 0 0 9 24 2 0 0 0 0 10 29 1 0 0 0 0 10 47 1 0 0 0 0 11 30 1 0 0 0 0 11 48 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 31 1 0 0 0 0 13 15 1 0 0 0 0 13 32 1 0 0 0 0 14 17 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 18 1 0 0 0 0 16 35 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 21 1 0 0 0 0 20 23 2 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 26 28 2 0 0 0 0 27 29 1 0 0 0 0 27 45 1 0 0 0 0 28 30 1 0 0 0 0 28 46 1 0 0 0 0 29 30 2 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

1,3,6,7-tetrahydroxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one

4.2 InChl

InChI=1S/C19H18O11/c20-4-11-15(25)17(27)18(28)19(30-11)12-8(23)3-10-13(16(12)26)14(24)5-1-6(21)7(22)2-9(5)29-10/h1-3,11,15,17-23,25-28H,4H2/t11-,15-,17+,18-,19+/m1/s1

4.3 InChlKey

AEDDIBAIWPIIBD-ZJKJAXBQSA-N

4.4 Canonical SMILES

C1=C2C(=CC(=C1O)O)OC3=C(C2=O)C(=C(C(=C3)O)C4C(C(C(C(O4)CO)O)O)O)O

4.5 lsomeric SMILES

C1=C2C(=CC(=C1O)O)OC3=C(C2=O)C(=C(C(=C3)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 30 33 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 6.06218 -0.5 0 0
M  V30 2 C 5.19615 -4.41314e-15 0 0
M  V30 3 C 5.19615 1 0 0
M  V30 4 C 6.06218 1.5 0 0
M  V30 5 C 6.9282 1 0 0
M  V30 6 C 6.9282 -4.88498e-15 0 0
M  V30 7 O 7.79423 -0.5 0 0
M  V30 8 O 7.79423 1.5 0 0
M  V30 9 O 4.33013 1.5 0 0
M  V30 10 C 3.4641 1 0 0
M  V30 11 C 3.4641 -3.05311e-15 0 0
M  V30 12 C 4.33013 -0.5 0 0
M  V30 13 O 4.33013 -1.5 0 0
M  V30 14 C 2.59808 -0.5 0 0
M  V30 15 C 1.73205 -1.47105e-15 0 0
M  V30 16 C 1.73205 1 0 0
M  V30 17 C 2.59808 1.5 0 0
M  V30 18 O 0.866025 1.5 0 0
M  V30 19 C 0.866025 -0.5 0 0
M  V30 20 C 0.866025 -1.5 0 0
M  V30 21 C -5.54044e-16 -2 0 0
M  V30 22 C -0.866025 -1.5 0 0
M  V30 23 C -0.866025 -0.5 0 0
M  V30 24 O 0 0 0 0
M  V30 25 C -1.73205 7.49401e-16 0 0
M  V30 26 O -2.59808 -0.5 0 0
M  V30 27 O -1.73205 -2 0 0
M  V30 28 O -1.27515e-15 -3 0 0
M  V30 29 O 1.73205 -2 0 0
M  V30 30 O 2.59808 -1.5 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 6
M  V30 2 2 1 2
M  V30 3 1 2 12
M  V30 4 1 2 3
M  V30 5 2 3 4
M  V30 6 1 3 9
M  V30 7 1 4 5
M  V30 8 2 5 6
M  V30 9 1 5 8
M  V30 10 1 6 7
M  V30 11 1 9 10
M  V30 12 1 10 17
M  V30 13 2 10 11
M  V30 14 1 11 12
M  V30 15 1 11 14
M  V30 16 2 12 13
M  V30 17 2 14 15
M  V30 18 1 14 30
M  V30 19 1 15 16
M  V30 20 1 15 19
M  V30 21 2 16 17
M  V30 22 1 16 18
M  V30 23 1 19 24
M  V30 24 1 19 20
M  V30 25 1 20 21
M  V30 26 1 20 29
M  V30 27 1 21 22
M  V30 28 1 21 28
M  V30 29 1 22 23
M  V30 30 1 22 27
M  V30 31 1 23 24
M  V30 32 1 23 25
M  V30 33 1 25 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
白木香	Chinese Eaglewood	Aquilaria sinensis
抱茎獐牙菜	Amplexicaul Swertia	Swertia franchetiana
扁桃	Peachform Mango	Mangifera persiciformis
川西獐牙菜	Mussot Swertia	Swertia mussotii
地桃花	Rose Mallow	Urena lobata
骨碎补	rhizome of Heartleaf Dryria	Rhizoma Dryriae
光石韦	Bald Pyrrosia	Pyrrosia calvata
红花龙胆	Redflower Gentian	Gentiana rhodantha
雷丸	Thunder Ball	omphalia
龙胆	Gentiae Radix Et Rhozima	-

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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