CAS号:10236-47-2-柚皮苷 - Naringin-科华智慧

1. 主信息

英文名:	Naringin
中文名:	柚皮苷
CAS编号:	10236-47-2
化学分子式：	C₂₇H₃₂O₁₄
化学分子量：	580.5 g/mol
SMILES：	CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O
来源：	甘草酸橙多序岩黄芪
结构类型：	黄酮类/二氢黄酮类
其它名称或标识：	4',5,7-trihydroxyflavanone 7-rhamnoglucoside aurantiin Cyclorel naringenin-7-hesperidoside naringin

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%	50	点击购买	2-8℃	现货	-
科华智慧	10g	BR，95%	48	点击购买	2-8℃	现货	-
科华智慧	25g	BR，95%	80	点击购买	2-8℃	现货	-
科华智慧	100g	BR，95%	238	点击购买	2-8℃	现货	-
科华智慧	500g	BR，95%	624	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 73 77 0 1 0 0 0 0 0999 V2000 3.4624 -0.2826 0.7385 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3089 2.6065 0.1345 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7934 -1.0040 -1.0889 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3610 0.5491 -0.9647 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0455 1.9975 1.7261 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3142 4.0186 2.8545 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7209 -1.8849 0.8525 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2513 -4.1258 1.6028 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7483 -4.5264 -0.7902 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3582 4.6698 0.8555 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1781 -0.4935 -0.0639 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9091 1.6892 -4.2142 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3666 1.0009 -3.6951 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9688 -2.5757 3.4000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1742 1.0941 0.4958 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6192 1.9255 1.6990 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0752 3.3519 1.6177 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7692 -0.6277 0.2922 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6720 1.2326 0.2491 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3339 -1.7469 1.1651 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5721 3.3444 1.3292 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6060 -3.0660 0.9006 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5866 -3.3904 -0.5936 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0507 -2.1905 -1.3869 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0287 4.7554 1.1275 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1492 -2.4113 -2.8939 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0556 0.5673 -1.3582 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9284 0.0247 -0.5312 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2936 1.1294 -2.5867 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2657 0.0536 -0.9287 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6103 0.5978 -2.1696 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5030 0.0308 -0.2436 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6267 1.1430 -2.9986 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9758 -0.1567 -1.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0193 0.5472 -2.6112 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4299 -0.6659 0.7302 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0712 0.0674 1.7277 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6404 -2.0407 0.6289 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9244 -0.5750 2.6252 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4936 -2.6829 1.5263 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1355 -1.9500 2.5244 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7023 1.4302 -0.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3149 1.4379 2.6334 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6147 3.9036 0.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4591 0.2170 0.3607 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1238 0.7670 1.0786 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2650 -1.4950 2.2289 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0143 2.8811 2.1545 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5799 -3.0085 1.2845 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5958 -3.6664 -0.9231 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9926 -2.0210 -1.1491 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5061 5.2507 0.2755 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1677 5.3743 2.0185 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1873 -2.5890 -3.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5373 -3.2557 -3.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8153 -1.5164 -3.4309 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2950 2.5381 2.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8343 3.5395 3.5515 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8122 -1.9567 -0.1126 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7748 -4.9471 1.3924 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8663 -4.8273 -1.7066 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4698 4.1112 0.0672 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6647 -0.4297 0.4202 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4848 1.5490 -3.2197 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4726 1.1035 -0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9763 0.2704 -1.8156 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9962 -1.2088 -1.9895 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9169 1.1392 1.8192 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1406 -2.6313 -0.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0873 2.0068 -4.6259 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4218 0.0012 3.4006 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6478 -3.7551 1.4388 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9979 -3.5237 3.1844 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 18 1 0 0 0 0 2 19 1 0 0 0 0 2 21 1 0 0 0 0 3 18 1 0 0 0 0 3 24 1 0 0 0 0 4 19 1 0 0 0 0 4 27 1 0 0 0 0 5 16 1 0 0 0 0 5 57 1 0 0 0 0 6 17 1 0 0 0 0 6 58 1 0 0 0 0 7 20 1 0 0 0 0 7 59 1 0 0 0 0 8 22 1 0 0 0 0 8 60 1 0 0 0 0 9 23 1 0 0 0 0 9 61 1 0 0 0 0 10 25 1 0 0 0 0 10 62 1 0 0 0 0 11 30 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 70 1 0 0 0 0 13 35 2 0 0 0 0 14 41 1 0 0 0 0 14 73 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 21 1 0 0 0 0 17 44 1 0 0 0 0 18 20 1 0 0 0 0 18 45 1 0 0 0 0 19 46 1 0 0 0 0 20 22 1 0 0 0 0 20 47 1 0 0 0 0 21 25 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 24 26 1 0 0 0 0 24 51 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 28 30 2 0 0 0 0 28 63 1 0 0 0 0 29 33 1 0 0 0 0 29 64 1 0 0 0 0 30 31 1 0 0 0 0 31 33 2 0 0 0 0 31 35 1 0 0 0 0 32 34 1 0 0 0 0 32 36 1 0 0 0 0 32 65 1 0 0 0 0 34 35 1 0 0 0 0 34 66 1 0 0 0 0 34 67 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 37 39 1 0 0 0 0 37 68 1 0 0 0 0 38 40 2 0 0 0 0 38 69 1 0 0 0 0 39 41 2 0 0 0 0 39 71 1 0 0 0 0 40 41 1 0 0 0 0 40 72 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

(2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one

4.2 InChl

InChI=1S/C27H32O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1

4.3 InChlKey

DFPMSGMNTNDNHN-ZPHOTFPESA-N

4.4 Canonical SMILES

CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O

4.5 lsomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 41 45 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C -3.4641 -1.55431e-14 0 0
M  V30 2 C -4.33013 -0.5 0 0
M  V30 3 C -4.33013 -1.5 0 0
M  V30 4 C -5.19615 -2 0 0
M  V30 5 C -6.06218 -1.5 0 0
M  V30 6 C -6.06218 -0.5 0 0
M  V30 7 O -5.19615 -1.5099e-14 0 0
M  V30 8 O -6.9282 -1.59872e-14 0 0
M  V30 9 C -6.9282 1 0 0
M  V30 10 C -7.79423 1.5 0 0
M  V30 11 C -7.79423 2.5 0 0
M  V30 12 C -6.9282 3 0 0
M  V30 13 O -6.06218 2.5 0 0
M  V30 14 C -6.06218 1.5 0 0
M  V30 15 O -5.19615 1 0 0
M  V30 16 C -4.33013 1.5 0 0
M  V30 17 C -4.33013 2.5 0 0
M  V30 18 C -3.4641 3 0 0
M  V30 19 C -2.59808 2.5 0 0
M  V30 20 C -1.73205 3 0 0
M  V30 21 O -1.73205 4 0 0
M  V30 22 C -0.866025 2.5 0 0
M  V30 23 C -0.866025 1.5 0 0
M  V30 24 O -1.73205 1 0 0
M  V30 25 C -2.59808 1.5 0 0
M  V30 26 C -3.4641 1 0 0
M  V30 27 C -2.83107e-15 1 0 0
M  V30 28 C 0.866025 1.5 0 0
M  V30 29 C 1.73205 1 0 0
M  V30 30 C 1.73205 4.996e-15 0 0
M  V30 31 C 0.866025 -0.5 0 0
M  V30 32 C 0 -0 0 0
M  V30 33 O 2.59808 -0.5 0 0
M  V30 34 O -3.4641 4 0 0
M  V30 35 C -6.9282 4 0 0
M  V30 36 O -7.79423 4.5 0 0
M  V30 37 O -8.66025 3 0 0
M  V30 38 O -8.66025 1 0 0
M  V30 39 O -6.9282 -2 0 0
M  V30 40 O -5.19615 -3 0 0
M  V30 41 O -3.4641 -2 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 7
M  V30 3 1 2 3
M  V30 4 1 3 4
M  V30 5 1 3 41
M  V30 6 1 4 5
M  V30 7 1 4 40
M  V30 8 1 5 6
M  V30 9 1 5 39
M  V30 10 1 6 7
M  V30 11 1 6 8
M  V30 12 1 8 9
M  V30 13 1 9 14
M  V30 14 1 9 10
M  V30 15 1 10 11
M  V30 16 1 10 38
M  V30 17 1 11 12
M  V30 18 1 11 37
M  V30 19 1 12 13
M  V30 20 1 12 35
M  V30 21 1 13 14
M  V30 22 1 14 15
M  V30 23 1 15 16
M  V30 24 1 16 26
M  V30 25 2 16 17
M  V30 26 1 17 18
M  V30 27 2 18 19
M  V30 28 1 18 34
M  V30 29 1 19 25
M  V30 30 1 19 20
M  V30 31 2 20 21
M  V30 32 1 20 22
M  V30 33 1 22 23
M  V30 34 1 23 24
M  V30 35 1 23 27
M  V30 36 1 24 25
M  V30 37 2 25 26
M  V30 38 1 27 32
M  V30 39 2 27 28
M  V30 40 1 28 29
M  V30 41 2 29 30
M  V30 42 1 30 31
M  V30 43 1 30 33
M  V30 44 2 31 32
M  V30 45 1 35 36
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
炒神曲	Medicated leaven	Massa fermentata medicinalis Preparata
炒枳壳	Prepared fruit of Seville orange	Fructus Aurantii Preparata
陈皮	Dried Tangerine Peel	Pericarpium Citri Reticulatae
玳玳花	Citrus Aurantium	-
鹅不食草	Small Centipeda Herb	Herba Centipedae
甘草	Root of Ural Licorice	Radix Glycyrrhizae
藁本	Ligustici Rhizoma Et Radix	-
枸橘	Trifoliate-orange	Poncirus trifoliata
枸橘枳实	Trifoliate-orange Young Fruit	Poncirus trifoliata
骨碎补	rhizome of Heartleaf Dryria	Rhizoma Dryriae

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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