CAS号:481-49-2-千金藤素 - Cepharanthine-科华智慧

1. 主信息

英文名:	Cepharanthine
中文名:	千金藤素
CAS编号:	481-49-2
化学分子式：	C₃₇H₃₈N₂O₆
化学分子量：	606.7 g/mol
SMILES：	CN1CCC2=CC3=C(C4=C2C1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)CC7C8=CC(=C(C=C8CCN7C)OC)O4)OC)OCO3
来源：	地不容千斤藤
结构类型：	喹啉/异喹啉类生物碱
其它名称或标识：	6',12'-dimethoxy-2,2'-dimethyl-6,7-(methylenebis(oxy))oxyacanthan cepharanthin cepharanthine

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	-
科华智慧	1g	≥98%	478	点击购买	2-8℃	现货	-
科华智慧	5g	≥98%	1430	点击购买	2-8℃	现货	-
科华智慧	25g	≥98%	3600	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 83 90 0 1 0 0 0 0 0999 V2000 -1.1928 -0.3734 -0.5029 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2637 -1.1688 2.3672 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2523 -0.9625 3.7008 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2229 -3.0769 -0.1456 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1859 3.2441 0.9017 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5047 4.1949 -0.2135 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7390 1.1298 -2.2448 N 0 0 2 0 0 0 0 0 0 0 0 0 4.0765 -3.3539 -1.0531 N 0 0 2 0 0 0 0 0 0 0 0 0 -3.4252 1.0702 -1.5560 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4353 0.3689 -0.1956 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3696 -2.1036 -0.6922 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6087 0.4409 0.5959 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8767 0.5759 -1.5073 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8547 0.9938 -0.0361 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8666 -2.3598 -0.5674 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9741 2.5550 -1.4129 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7882 -4.4336 -0.1097 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3781 -3.6525 -0.3045 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3148 -4.8310 -0.2302 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2873 -0.2678 0.3207 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8941 -1.3995 0.5992 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6080 0.0002 1.9237 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3042 -0.6563 1.6513 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9567 -1.2989 -0.6667 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6774 0.5901 -3.6009 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4086 -1.5021 -0.4559 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4355 -0.5238 2.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5955 2.7665 -0.8301 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0036 -3.8621 -0.1799 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5062 -3.1856 -1.2812 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0548 0.0963 0.4229 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8965 -2.7932 -0.2601 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4522 2.6003 -1.6218 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4415 3.1127 0.5207 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8727 -1.3708 3.6558 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0493 0.9848 0.8242 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2099 0.6097 -0.1866 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1793 2.3531 0.5631 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8220 2.7564 -1.0699 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1699 3.2634 1.0767 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9628 3.0635 0.2876 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3575 1.9832 -0.3918 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3425 2.8592 -0.0154 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9294 -3.3750 -1.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1082 4.9381 0.8436 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7074 0.5424 -2.1977 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4920 -1.4354 -1.5565 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8842 -0.5211 -1.5764 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8093 0.9355 -1.9586 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7447 0.5898 0.4605 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8751 2.0844 0.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6995 3.1141 -0.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9919 3.0405 -2.3994 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0241 -4.1376 0.9202 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3951 -5.3205 -0.3309 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0480 -5.4634 0.6249 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1764 -5.4269 -1.1418 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8731 -1.7838 0.9064 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2406 -1.6032 1.4586 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4960 0.0734 2.5422 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3136 -0.2983 -0.8897 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4523 -0.4824 -3.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9101 1.1070 -4.1881 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6278 0.7449 -4.1236 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3821 -4.8690 -0.0159 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6962 -2.3578 -1.9731 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9172 -4.0845 -1.7548 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0735 -3.0095 -0.3623 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5470 2.3407 -2.6732 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3138 3.2534 1.1544 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3116 -0.7982 4.4031 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8121 -2.4352 3.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1546 0.6090 1.3141 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0048 -0.0601 -0.5053 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6886 2.6319 -1.7129 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0718 3.5244 2.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2660 2.3604 -0.8538 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8473 -2.5479 -2.0606 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9845 -3.5168 -1.0987 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5475 -4.2972 -1.7968 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1571 5.9874 0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1254 4.5803 1.0317 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5093 4.8659 1.7569 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 26 1 0 0 0 0 2 23 1 0 0 0 0 2 35 1 0 0 0 0 3 27 1 0 0 0 0 3 35 1 0 0 0 0 4 32 1 0 0 0 0 4 44 1 0 0 0 0 5 38 1 0 0 0 0 5 41 1 0 0 0 0 6 43 1 0 0 0 0 6 45 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 7 25 1 0 0 0 0 8 11 1 0 0 0 0 8 17 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 16 1 0 0 0 0 9 46 1 0 0 0 0 10 12 1 0 0 0 0 10 20 2 0 0 0 0 11 15 1 0 0 0 0 11 21 1 0 0 0 0 11 47 1 0 0 0 0 12 14 1 0 0 0 0 12 22 2 0 0 0 0 13 14 1 0 0 0 0 13 48 1 0 0 0 0 13 49 1 0 0 0 0 14 50 1 0 0 0 0 14 51 1 0 0 0 0 15 18 1 0 0 0 0 15 24 2 0 0 0 0 16 28 1 0 0 0 0 16 52 1 0 0 0 0 16 53 1 0 0 0 0 17 19 1 0 0 0 0 17 54 1 0 0 0 0 17 55 1 0 0 0 0 18 19 1 0 0 0 0 18 29 2 0 0 0 0 19 56 1 0 0 0 0 19 57 1 0 0 0 0 20 23 1 0 0 0 0 21 31 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 22 27 1 0 0 0 0 22 60 1 0 0 0 0 23 27 2 0 0 0 0 24 26 1 0 0 0 0 24 61 1 0 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 26 32 2 0 0 0 0 28 33 2 0 0 0 0 28 34 1 0 0 0 0 29 32 1 0 0 0 0 29 65 1 0 0 0 0 30 66 1 0 0 0 0 30 67 1 0 0 0 0 30 68 1 0 0 0 0 31 36 2 0 0 0 0 31 37 1 0 0 0 0 33 39 1 0 0 0 0 33 69 1 0 0 0 0 34 40 2 0 0 0 0 34 70 1 0 0 0 0 35 71 1 0 0 0 0 35 72 1 0 0 0 0 36 38 1 0 0 0 0 36 73 1 0 0 0 0 37 42 2 0 0 0 0 37 74 1 0 0 0 0 38 43 2 0 0 0 0 39 41 2 0 0 0 0 39 75 1 0 0 0 0 40 41 1 0 0 0 0 40 76 1 0 0 0 0 42 43 1 0 0 0 0 42 77 1 0 0 0 0 44 78 1 0 0 0 0 44 79 1 0 0 0 0 44 80 1 0 0 0 0 45 81 1 0 0 0 0 45 82 1 0 0 0 0 45 83 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

(14S,27R)-22,33-dimethoxy-13,28-dimethyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo[25.6.2.216,19.13,10.121,25.04,8.031,35.014,39]nonatriaconta-1(33),3(39),4(8),9,16(38),17,19(37),21,23,25(36),31,34-dodecaene

4.2 InChl

InChI=1S/C37H38N2O6/c1-38-13-11-24-18-31(41-4)33-20-27(24)28(38)16-23-7-10-30(40-3)32(17-23)44-26-8-5-22(6-9-26)15-29-35-25(12-14-39(29)2)19-34-36(37(35)45-33)43-21-42-34/h5-10,17-20,28-29H,11-16,21H2,1-4H3/t28-,29+/m1/s1

4.3 InChlKey

YVPXVXANRNDGTA-WDYNHAJCSA-N

4.4 Canonical SMILES

CN1CCC2=CC3=C(C4=C2C1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)CC7C8=CC(=C(C=C8CCN7C)OC)O4)OC)OCO3

4.5 lsomeric SMILES

CN1CCC2=CC3=C(C4=C2[C@@H]1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)C[C@@H]7C8=CC(=C(C=C8CCN7C)OC)O4)OC)OCO3

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 45 52 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C -4.20725 -3.66913 0 0
M  V30 2 N -3.34122 -3.16913 0 0
M  V30 3 C -2.4752 -3.66913 0 0
M  V30 4 C -1.60917 -3.16913 0 0
M  V30 5 C -1.60917 -2.16913 0 0
M  V30 6 C -0.743145 -1.66913 0 0
M  V30 7 C -0.743145 -0.669131 0 0
M  V30 8 C -1.60917 -0.169131 0 0
M  V30 9 C -2.4752 -0.669131 0 0
M  V30 10 C -2.4752 -1.66913 0 0
M  V30 11 C -3.34122 -2.16913 0 0
M  V30 12 C -3.89618 -2.39453 0 0
M  V30 13 C -4.49426 -2.42753 0 0
M  V30 14 C -5.07064 -2.26455 0 0
M  V30 15 C -5.56288 -1.92324 0 0
M  V30 16 C -5.91762 -1.4406 0 0
M  V30 17 C -5.13442 -1.071 0 0
M  V30 18 C -4.42274 -1.56446 0 0
M  V30 19 O -6.09642 -0.868919 0 0
M  V30 20 C -6.07992 -0.27016 0 0
M  V30 21 C -5.5774 -0.425165 0 0
M  V30 22 C -5.14291 -0.128928 0 0
M  V30 23 C -5.10361 0.395479 0 0
M  V30 24 C -5.4891 0.753166 0 0
M  V30 25 C -5.86989 0.290798 0 0
M  V30 26 C -4.97881 1.06684 0 0
M  V30 27 C -4.39432 1.19783 0 0
M  V30 28 C -3.79897 1.13193 0 0
M  V30 29 C -3.25727 0.876299 0 0
M  V30 30 C -2.82793 0.458628 0 0
M  V30 31 C -2.63196 0.946625 0 0
M  V30 32 C -2.8913 1.4041 0 0
M  V30 33 C -3.41067 1.48657 0 0
M  V30 34 C -3.63337 1.88477 0 0
M  V30 35 C -4.08354 1.95893 0 0
M  V30 36 N -4.42219 1.65321 0 0
M  V30 37 C -5.34799 2.03125 0 0
M  V30 38 O -1.6342 1.0135 0 0
M  V30 39 C -1.19323 1.91103 0 0
M  V30 40 O -2.55747 -0.075821 0 0
M  V30 41 O -5.42836 -1.414 0 0
M  V30 42 C -6.21019 -2.03749 0 0
M  V30 43 O -1.40126 0.809017 0 0
M  V30 44 C -0.406737 0.913545 0 0
M  V30 45 O 0 0 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 11
M  V30 3 1 2 3
M  V30 4 1 3 4
M  V30 5 1 4 5
M  V30 6 1 5 10
M  V30 7 2 5 6
M  V30 8 1 6 7
M  V30 9 1 7 45
M  V30 10 2 7 8
M  V30 11 1 8 9
M  V30 12 1 8 43
M  V30 13 1 9 40
M  V30 14 2 9 10
M  V30 15 1 10 11
M  V30 16 1 11 12
M  V30 17 1 12 13
M  V30 18 1 13 18
M  V30 19 2 13 14
M  V30 20 1 14 15
M  V30 21 2 15 16
M  V30 22 1 16 17
M  V30 23 1 16 19
M  V30 24 2 17 18
M  V30 25 1 19 20
M  V30 26 1 20 25
M  V30 27 2 20 21
M  V30 28 1 21 22
M  V30 29 1 21 41
M  V30 30 2 22 23
M  V30 31 1 23 24
M  V30 32 2 24 25
M  V30 33 1 24 26
M  V30 34 1 26 27
M  V30 35 1 27 36
M  V30 36 1 27 28
M  V30 37 1 28 33
M  V30 38 2 28 29
M  V30 39 1 29 30
M  V30 40 2 30 31
M  V30 41 1 30 40
M  V30 42 1 31 32
M  V30 43 1 31 38
M  V30 44 2 32 33
M  V30 45 1 33 34
M  V30 46 1 34 35
M  V30 47 1 35 36
M  V30 48 1 36 37
M  V30 49 1 38 39
M  V30 50 1 41 42
M  V30 51 1 43 44
M  V30 52 1 44 45
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
白屈菜	Chelidonii Herba	-
白药子	Radix Stephaniae Cepharanthae.	-
地不容	Delavay Stephania	Stephania delavayi [Syn. Stephania epigaea ]
台湾千金藤	Sasak Stephania	Stephania sasakii

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7. 相关靶点

基因靶点	靶点位置	参考文献
ABCC10	6p21.1	21628669
CTSB	8p23.1	29024815
CTSD	11p15.5	29024815
LAMP1	13q34	31699152
MAP1LC3A	20q11.22	31699152
MTOR	1p36.22	28923401
MYO1C	17p13.3	31699152
NPC1	18q11.2	28923401

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8. 相关疾病

疾病名称	疾病类型	参考文献
HIV Infections	group	21628669
Kidney Diseases	group	21628669
Lung Neoplasms	group	29024815
Neoplasms	group	28923401

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