CAS号:480-36-4-蒙花苷 - Linarin-科华智慧

1. 主信息

英文名:	Linarin
中文名:	蒙花苷
CAS编号:	480-36-4
化学分子式：	C₂₈H₃₂O₁₄
化学分子量：	592.5 g/mol
SMILES：	CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)OC)O)O)O)O)O)O)O
来源：	薄荷蓟半边莲密蒙花鸡矢藤
结构类型：	黄酮类/二氢黄酮类
其它名称或标识：	acaciin linarin

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%	150	点击购买	2-8℃	现货	-
科华智慧	1g	95%	800	点击购买	2-8℃	现货	-
科华智慧	5g	95%	3200	点击购买	2-8℃	现货	-
科华智慧	5mg	HPLC≥98%	54	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 74 78 0 1 0 0 0 0 0999 V2000 -3.2429 -0.7549 0.2225 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8996 2.6942 -2.1920 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0271 1.9833 -0.2287 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3094 1.1818 0.7320 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9443 -0.1709 3.2603 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3971 -2.6744 1.2444 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7257 -2.8211 2.8458 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3454 5.1512 -0.8078 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6366 4.0418 0.8002 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4449 1.8768 -0.8748 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1078 -1.3797 0.4809 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6113 -3.1165 -3.1364 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8843 -2.3756 -3.4635 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7798 0.8810 2.1228 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3914 0.0117 -0.1442 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1222 0.4910 1.1122 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.4904 -0.6907 2.0097 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2867 -1.6033 2.2444 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6010 3.9282 -0.1153 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5453 3.0934 -0.9783 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2873 3.1850 0.1328 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3287 2.7079 -1.1830 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5830 -1.9445 0.9309 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7094 1.9235 -1.9974 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9106 1.1805 -0.9984 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1875 1.5519 -3.3827 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3480 -2.5323 0.3852 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1332 -2.0262 0.8484 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4906 -2.8942 -0.9551 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9393 -1.8830 -0.0322 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4197 -2.7517 -1.8382 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7949 -2.2449 -1.3705 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9413 -2.0816 -2.2775 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1933 -1.2326 -0.3695 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1763 -1.5386 -1.6765 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3960 -0.6779 0.2835 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6679 -1.0108 -0.1889 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2671 0.1816 1.3774 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8039 -0.4873 0.4286 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4031 0.7051 1.9947 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6715 0.3708 1.5204 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5724 1.7520 3.2339 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0541 -0.6054 -0.7654 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5059 1.1928 1.6866 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3269 -1.2622 1.5891 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5902 -1.1303 2.9479 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0626 4.1880 0.8436 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3999 3.7165 -1.2698 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4630 2.3284 0.7956 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7072 3.5697 -1.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2142 -2.5895 0.3055 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9602 0.9874 -1.4821 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3848 0.7776 -1.8712 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7591 1.7816 -1.3443 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0879 2.4476 -3.9499 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6808 0.8894 -3.3271 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9690 1.0435 -3.9583 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8661 0.5662 0.2254 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7000 0.4129 3.0758 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9418 -3.3832 2.9704 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0803 4.9383 -1.7184 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4624 3.5421 0.9201 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9234 1.7010 -1.7021 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0255 -1.7439 1.8926 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4338 -3.2964 -1.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -1.3964 -2.3456 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1945 -2.9669 -3.6542 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8144 -1.6928 -1.0221 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2907 0.4666 1.7618 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7897 -0.7551 0.0581 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2283 1.3669 2.8361 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5602 2.0632 3.5894 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0381 2.6612 2.9381 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0820 1.2341 4.0651 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 23 1 0 0 0 0 2 20 1 0 0 0 0 2 24 1 0 0 0 0 3 20 1 0 0 0 0 3 25 1 0 0 0 0 4 16 1 0 0 0 0 4 58 1 0 0 0 0 5 17 1 0 0 0 0 5 59 1 0 0 0 0 6 23 1 0 0 0 0 6 27 1 0 0 0 0 7 18 1 0 0 0 0 7 60 1 0 0 0 0 8 19 1 0 0 0 0 8 61 1 0 0 0 0 9 21 1 0 0 0 0 9 62 1 0 0 0 0 10 22 1 0 0 0 0 10 63 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 67 1 0 0 0 0 13 33 2 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 25 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 18 23 1 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 22 24 1 0 0 0 0 22 50 1 0 0 0 0 23 51 1 0 0 0 0 24 26 1 0 0 0 0 24 52 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 26 57 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 64 1 0 0 0 0 29 31 1 0 0 0 0 29 65 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 66 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 70 1 0 0 0 0 40 41 1 0 0 0 0 40 71 1 0 0 0 0 42 72 1 0 0 0 0 42 73 1 0 0 0 0 42 74 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

5-hydroxy-2-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one

4.2 InChl

InChI=1S/C28H32O14/c1-11-21(31)23(33)25(35)27(39-11)38-10-19-22(32)24(34)26(36)28(42-19)40-14-7-15(29)20-16(30)9-17(41-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-9,11,19,21-29,31-36H,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1

4.3 InChlKey

YFVGIJBUXMQFOF-PJOVQGMDSA-N

4.4 Canonical SMILES

CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)OC)O)O)O)O)O)O)O

4.5 lsomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)OC)O)O)O)O)O)O)O

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 42 46 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 11.2583 1.5 0 0
M  V30 2 C 11.2583 0.5 0 0
M  V30 3 C 12.1244 -2.498e-16 0 0
M  V30 4 C 12.1244 -1 0 0
M  V30 5 C 11.2583 -1.5 0 0
M  V30 6 C 10.3923 -1 0 0
M  V30 7 O 10.3923 -1.60982e-15 0 0
M  V30 8 O 9.52628 -1.5 0 0
M  V30 9 C 8.66025 -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 C 6.06218 -2.5 0 0
M  V30 14 C 6.06218 -1.5 0 0
M  V30 15 O 6.9282 -1 0 0
M  V30 16 O 5.19615 -1 0 0
M  V30 17 C 4.33013 -1.5 0 0
M  V30 18 C 4.33013 -2.5 0 0
M  V30 19 C 3.4641 -3 0 0
M  V30 20 C 2.59808 -2.5 0 0
M  V30 21 C 2.59808 -1.5 0 0
M  V30 22 C 3.4641 -1 0 0
M  V30 23 O 1.73205 -1 0 0
M  V30 24 C 0.866025 -1.5 0 0
M  V30 25 C 0.866025 -2.5 0 0
M  V30 26 C 1.73205 -3 0 0
M  V30 27 O 1.73205 -4 0 0
M  V30 28 C -2.4037e-16 -1 0 0
M  V30 29 C -0.866025 -1.5 0 0
M  V30 30 C -1.73205 -1 0 0
M  V30 31 C -1.73205 4.16334e-16 0 0
M  V30 32 C -0.866025 0.5 0 0
M  V30 33 C 0 -0 0 0
M  V30 34 O -2.59808 0.5 0 0
M  V30 35 C -2.59808 1.5 0 0
M  V30 36 O 3.4641 -4 0 0
M  V30 37 O 5.19615 -3 0 0
M  V30 38 O 6.9282 -4 0 0
M  V30 39 O 8.66025 -3 0 0
M  V30 40 O 11.2583 -2.5 0 0
M  V30 41 O 12.9904 -1.5 0 0
M  V30 42 O 12.9904 0.5 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 42
M  V30 6 1 4 5
M  V30 7 1 4 41
M  V30 8 1 5 6
M  V30 9 1 5 40
M  V30 10 1 6 7
M  V30 11 1 6 8
M  V30 12 1 8 9
M  V30 13 1 9 10
M  V30 14 1 10 15
M  V30 15 1 10 11
M  V30 16 1 11 12
M  V30 17 1 11 39
M  V30 18 1 12 13
M  V30 19 1 12 38
M  V30 20 1 13 14
M  V30 21 1 13 37
M  V30 22 1 14 15
M  V30 23 1 14 16
M  V30 24 1 16 17
M  V30 25 1 17 22
M  V30 26 2 17 18
M  V30 27 1 18 19
M  V30 28 2 19 20
M  V30 29 1 19 36
M  V30 30 1 20 26
M  V30 31 1 20 21
M  V30 32 2 21 22
M  V30 33 1 21 23
M  V30 34 1 23 24
M  V30 35 2 24 25
M  V30 36 1 24 28
M  V30 37 1 25 26
M  V30 38 2 26 27
M  V30 39 1 28 33
M  V30 40 2 28 29
M  V30 41 1 29 30
M  V30 42 2 30 31
M  V30 43 1 31 32
M  V30 44 1 31 34
M  V30 45 2 32 33
M  V30 46 1 34 35
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
败酱草	All - grass of Dahurian Patrinia	Herba Patriniae
半边莲	Chinese Lobelia Herb	Herba Lobeliae Chinensis
板蓝根	Root of Dyers Woad.	Radix Isatidis seu Baphicacanthi
北野菊	Boreal Wild Chrysanthemum	Chrysanthemum boreale
薄荷	Mentha, Peppermint	herba Menthae
刺槐花	Black Locust Flower	Robinia pseudoacacia
大蓟	all-grass of Thistle	Herba Cirsii Japonici;Radix Cirsii Japonici;Herba
地骨皮	root - bark of Chinese Wolfberry	Cortex Lycii Radicis
甘松	rdostachys Root	Radix seu Rhizoma rdostachyos
鬼箭羽	twig of Winged Euonymus	Ramulus Euonymi

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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