CAS号:17306-46-6-野漆树苷 - Rhoifolin-科华智慧

1. 主信息

英文名:	Rhoifolin
中文名:	野漆树苷
CAS编号:	17306-46-6
化学分子式：	C₂₇H₃₀O₁₄
化学分子量：	578.5 g/mol
SMILES：	CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O
来源：	山香圆
结构类型：	黄酮类/二氢黄酮类
其它名称或标识：	4',5,7-trihydroxyflavone-7-rhamnoglucoside 7-((2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-benzopyran-4-one apigenin-7-O-neohesperidoside apigenin-7-O-rhamnoglucoside rhoifolin

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%	216	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 71 75 0 1 0 0 0 0 0999 V2000 3.4654 -0.3843 0.6866 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4095 2.6114 0.3005 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7405 -1.0371 -1.2052 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1459 1.7723 1.7846 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3694 0.6259 -0.9242 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5073 3.7794 3.0662 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6646 -2.1050 0.6434 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1262 -4.3348 1.2802 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 -4.5320 -1.1058 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1696 4.6836 1.1771 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1975 -0.3176 -0.0251 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9145 2.1003 -4.0254 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4098 1.5330 -3.4463 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0108 -2.7045 3.3092 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2239 1.0143 0.5345 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7176 1.7528 1.7786 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2248 3.1999 1.7951 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7516 -0.7470 0.1967 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2886 -1.9377 0.9887 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7240 1.2210 0.3236 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7182 3.2636 1.5336 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5091 -3.2111 0.6563 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4546 -3.4409 -0.8545 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9505 -2.1757 -1.5626 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2235 4.7028 1.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0173 -2.3056 -3.0818 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0596 0.7148 -1.2925 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9301 0.1568 -0.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2887 1.3645 -2.4776 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2697 0.2503 -0.8611 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6277 1.4591 -2.8586 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6155 0.8993 -2.0451 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0353 0.9816 -2.4207 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5374 -0.2345 -0.3718 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9943 0.3572 -1.4869 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4480 -0.8827 0.5932 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6446 -1.4547 0.1541 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1171 -0.9262 1.9498 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5049 -2.0664 1.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9774 -1.5379 2.8616 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1713 -2.1080 2.4197 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7497 1.3871 -0.3568 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4104 1.2190 2.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7719 3.7796 1.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4728 0.0668 0.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2457 -1.7503 2.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1721 0.7243 1.1326 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1568 2.7699 2.3386 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4919 -3.1413 1.0613 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4477 -3.7315 -1.2183 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9031 -1.9839 -1.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7053 5.2330 0.6008 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3989 5.2597 2.3539 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7079 -1.3677 -3.5566 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3699 -3.1056 -3.4515 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0433 -2.5008 -3.4124 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4269 2.2549 2.5808 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0212 3.2750 3.7407 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7382 -2.1198 -0.3258 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6168 -5.1240 1.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6651 -4.7794 -2.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3138 4.1796 0.3579 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6692 -0.3670 0.4328 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4874 1.7975 -3.1042 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0430 0.4317 -1.7495 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8706 2.1050 -4.1851 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9302 -1.4625 -0.8945 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1974 -0.4825 2.3232 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4299 -2.5112 0.7087 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7133 -1.5656 3.9153 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7871 -3.0437 2.8312 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 20 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 16 1 0 0 0 0 4 57 1 0 0 0 0 5 20 1 0 0 0 0 5 27 1 0 0 0 0 6 17 1 0 0 0 0 6 58 1 0 0 0 0 7 19 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 34 1 0 0 0 0 12 31 1 0 0 0 0 12 66 1 0 0 0 0 13 33 2 0 0 0 0 14 41 1 0 0 0 0 14 71 1 0 0 0 0 15 16 1 0 0 0 0 15 20 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 19 1 0 0 0 0 18 45 1 0 0 0 0 19 22 1 0 0 0 0 19 46 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 31 1 0 0 0 0 29 64 1 0 0 0 0 30 32 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 35 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 35 65 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 67 1 0 0 0 0 38 40 2 0 0 0 0 38 68 1 0 0 0 0 39 41 2 0 0 0 0 39 69 1 0 0 0 0 40 41 1 0 0 0 0 40 70 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

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)chromen-4-one

4.2 InChl

InChI=1S/C27H30O14/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/h2-8,10,18,20-30,32-36H,9H2,1H3/t10-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1

4.3 InChlKey

RPMNUQRUHXIGHK-PYXJVEIZSA-N

4.4 Canonical SMILES

CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)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(=C3)OC(=CC4=O)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 -1.46549e-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 -1.37668e-14 0 0
M  V30 8 O -6.9282 -1.5099e-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 -2.59808 1.5 0 0
M  V30 21 C -3.4641 1 0 0
M  V30 22 O -1.73205 1 0 0
M  V30 23 C -0.866025 1.5 0 0
M  V30 24 C -0.866025 2.5 0 0
M  V30 25 C -1.73205 3 0 0
M  V30 26 O -1.73205 4 0 0
M  V30 27 C -2.33147e-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 3.77476e-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 21
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 2 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
扁豆花	flower of Hyacinth Dolichos	Flos Dolichoris
凤尾草	all - grass of Chinese Brake	Herba Pteridis multifidae
化橘红	Pummelo Peel	Exocarpium Citri grandis
金银花	Honeysuckle Flower	Flos Lonicerae
橘红	Citri Exocarpium Rubrum	-
菊花	Chrysanthemum Flower	Flos Chrysanthemi
丽春花	Corn Poppy	Papaver commutatum [Syn. Papaver rhoeas ]
石菖蒲	Grassleaf Sweetflag Rhizome	Rhizoma Acori Talarinowii
石上柏	Selaginella Doederleinii Hieron	-
石韦	Pyrrosiae Folium	-

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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