CAS号:475-83-2-荷叶碱 - Nuciferine-科华智慧

1. 主信息

英文名:	Nuciferine
中文名:	荷叶碱
CAS编号:	475-83-2
化学分子式：	C₁₉H₂₁NO₂
化学分子量：	295.4 g/mol
SMILES：	CN1CCC2=CC(=C(C3=C2C1CC4=CC=CC=C43)OC)OC
来源：	莲
结构类型：	喹啉/异喹啉类生物碱
其它名称或标识：	l-5,6-dimethoxyaporphine nuciferine nuciferine, (+-)-isomer nuciferine, (S)-isomer

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%	120	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 43 46 0 1 0 0 0 0 0999 V2000 -1.9195 -2.1419 -0.1105 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9155 -0.3500 -0.2010 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6044 2.9313 -0.2565 N 0 0 1 0 0 0 0 0 0 0 0 0 1.4487 1.5208 0.1851 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0103 1.0087 0.0537 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3865 0.5751 -0.5992 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0598 1.9214 -0.0247 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5934 3.7755 0.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2367 -0.3878 0.0764 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8023 3.4009 -0.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1965 -0.8650 -0.1779 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9046 -1.3285 0.1523 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5712 -0.8240 -0.0094 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3731 1.4497 -0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9383 3.4631 0.0431 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6267 0.0838 -0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2970 -1.7358 -0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7723 -2.6734 0.5417 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1354 -3.0649 0.2191 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8753 -3.5315 0.5748 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0290 -2.6794 -1.4248 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6288 -0.5480 1.0173 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6948 1.4547 1.2564 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4325 0.8494 -0.4242 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1998 0.6457 -1.6791 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7574 4.8336 0.1599 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6547 3.6795 1.4927 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9265 3.7249 -1.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5434 3.9358 0.5164 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1990 2.1523 -0.1949 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7108 2.9637 -0.5486 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1914 3.3706 1.1053 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0012 4.5228 -0.2311 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2863 -1.3789 -0.4337 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1634 -3.0948 0.8911 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9909 -3.7331 0.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7484 -4.5636 0.8893 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9015 -2.2643 -1.9385 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1594 -3.7619 -1.3412 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1249 -2.4824 -2.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1331 -1.3021 1.6368 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6338 -0.9026 0.7724 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7146 0.3938 1.5686 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 21 1 0 0 0 0 2 16 1 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 3 15 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 23 1 0 0 0 0 5 7 1 0 0 0 0 5 9 2 0 0 0 0 6 11 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 10 1 0 0 0 0 7 14 2 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 17 2 0 0 0 0 12 18 2 0 0 0 0 13 16 2 0 0 0 0 14 16 1 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 17 19 1 0 0 0 0 17 34 1 0 0 0 0 18 20 1 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

(6aR)-1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline

4.2 InChl

InChI=1S/C19H21NO2/c1-20-9-8-13-11-16(21-2)19(22-3)18-14-7-5-4-6-12(14)10-15(20)17(13)18/h4-7,11,15H,8-10H2,1-3H3/t15-/m1/s1

4.3 InChlKey

ORJVQPIHKOARKV-OAHLLOKOSA-N

4.4 Canonical SMILES

CN1CCC2=CC(=C(C3=C2C1CC4=CC=CC=C43)OC)OC

4.5 lsomeric SMILES

CN1CCC2=CC(=C(C3=C2[C@H]1CC4=CC=CC=C43)OC)OC

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 25 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 2.40886 -2.27851 0 0
M  V30 2 N 2.39919 -1.36006 0 0
M  V30 3 C 3.1874 -0.899569 0 0
M  V30 4 C 3.18342 0.0123728 0 0
M  V30 5 C 2.38546 0.473075 0 0
M  V30 6 C 2.37873 1.38972 0 0
M  V30 7 C 1.58643 1.84074 0 0
M  V30 8 C 0.79823 1.38024 0 0
M  V30 9 C 0.792911 0.463241 0 0
M  V30 10 C 1.59726 0.0125833 0 0
M  V30 11 C 1.5976 -0.914109 0 0
M  V30 12 C 0.804687 -1.37735 0 0
M  V30 13 C 0.0169341 -0.923312 0 0
M  V30 14 C -0.77421 -1.39963 0 0
M  V30 15 C -1.58229 -0.952643 0 0
M  V30 16 C -1.59922 -0.0293307 0 0
M  V30 17 C -0.808079 0.446991 0 0
M  V30 18 C 0 -0 0 0
M  V30 19 O 0.00781806 1.83694 0 0
M  V30 20 C -0.782894 1.38076 0 0
M  V30 21 O 1.58131 2.75239 0 0
M  V30 22 C 0.789227 3.20378 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 2 7 8
M  V30 10 1 7 21
M  V30 11 1 8 9
M  V30 12 1 8 19
M  V30 13 1 9 18
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 2 17 18
M  V30 24 1 19 20
M  V30 25 1 21 22
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
大枣	Jujube Chinese date	Fructus Zizyphi Jujubae
丁茄	Aculeate Nightshade	Solanum aculeatissimum
粉萆薢	Dioscoreae Hypoglaucae Rhizoma	-
浮萍	all-grass of Common Ducksmeat	Herba Spirodelae
荷花	Flos Nelumbinis Immaturus	-
荷叶	Lotus leaf	Folium Nelumbinis
荷叶蒂	Hindu Lotus Leaf-base	Nelumbo nucifera
蒺藜	Puncturevine Caltrop Fruit	Fructus Tribuli
莲子	Hindu Lotus Seed	Nelumbo nucifera
莲子心	Lotus Plumule	Plumula Nelumbinis

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7. 相关靶点

基因靶点	靶点位置	参考文献
AKT1	14q32.33	30922391
NOS3	7q36.1	25409881
PPARA	22q13.31	30129056
SNAI2	8q11.21	30922391
SOX2	3q26.33	30922391
STAT3	17q21.2	30922391

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8. 相关疾病

疾病名称	疾病类型	参考文献
Brain Neoplasms	group	30922391
Diabetes Mellitus, Experimental	disease	30129056
Fatty Liver	disease	30129056
Glioblastoma	disease	30922391
Glucose tolerance test	phenotype	30129056
Insulin Resistance	phenotype	30129056
Vascular Diseases	group	25409881

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