CAS号:51020-86-1-里卡灵A - (-)-Licarin A-科华智慧

1. 主信息

英文名:	(-)-Licarin A
中文名:	里卡灵A
CAS编号:	51020-86-1
化学分子式：	C₂₀H₂₂O₄
化学分子量：	326.4 g/mol
SMILES：	CC=CC1=CC2=C(C(=C1)OC)OC(C2C)C3=CC(=C(C=C3)O)OC
来源：	姜三白草甘松风藤宜昌润楠
结构类型：	木质素类
其它名称或标识：	isolicarin A licarin A

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	10mg	HPLC≥98%	1920	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 46 48 0 1 0 0 0 0 0999 V2000 -0.1097 -0.8324 -1.0180 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8617 -2.9040 -1.1493 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3937 -1.2555 1.5088 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1258 0.5490 0.2961 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2298 1.4122 -0.1384 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6297 0.5262 -1.0715 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4767 0.6001 -0.1409 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1954 -0.6699 -0.6258 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0958 0.5293 -0.7044 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3832 2.8362 -0.6519 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7477 0.9153 0.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1526 -1.6648 -0.6805 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7361 -0.0712 0.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5800 -0.3729 0.2431 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4399 -1.3534 -0.2409 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9653 1.4348 -1.3128 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9331 -0.3697 0.5821 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3184 1.4378 -0.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0833 0.2298 0.7093 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8023 0.5358 -0.0265 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4043 -3.8710 -0.2018 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6143 1.4653 0.8505 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0088 1.7271 1.3189 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3799 -0.8340 2.8713 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1734 1.4257 0.8824 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5246 0.8388 -2.1212 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0392 3.4196 0.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8195 2.8585 -1.6569 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5853 3.3446 -0.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9270 1.9036 0.7168 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9140 -1.0783 0.7339 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2127 -2.1188 -0.2809 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6007 2.1428 -2.0522 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9845 2.1486 -1.4557 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7068 -0.6300 0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2138 -4.8072 -0.7334 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4732 -3.5372 0.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1683 -4.0490 0.5615 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0438 2.3552 0.6023 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5713 1.2406 -0.2227 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5650 2.2699 0.5485 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9883 2.3397 2.2253 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5504 0.8030 1.5437 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0071 0.0528 3.0071 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3562 -0.6239 3.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7829 -1.6444 3.4848 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 8 1 0 0 0 0 2 12 1 0 0 0 0 2 21 1 0 0 0 0 3 17 1 0 0 0 0 3 24 1 0 0 0 0 4 20 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 25 1 0 0 0 0 6 9 1 0 0 0 0 6 26 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 9 14 2 0 0 0 0 9 16 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 13 2 0 0 0 0 11 30 1 0 0 0 0 12 15 2 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 14 17 1 0 0 0 0 14 31 1 0 0 0 0 15 32 1 0 0 0 0 16 18 2 0 0 0 0 16 33 1 0 0 0 0 17 20 2 0 0 0 0 18 20 1 0 0 0 0 18 34 1 0 0 0 0 19 22 2 0 0 0 0 19 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

2-methoxy-4-[(2R,3R)-7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]phenol

4.2 InChl

InChI=1S/C20H22O4/c1-5-6-13-9-15-12(2)19(24-20(15)18(10-13)23-4)14-7-8-16(21)17(11-14)22-3/h5-12,19,21H,1-4H3/b6-5+/t12-,19-/m1/s1

4.3 InChlKey

ITDOFWOJEDZPCF-OTBILJLCSA-N

4.4 Canonical SMILES

CC=CC1=CC2=C(C(=C1)OC)OC(C2C)C3=CC(=C(C=C3)O)OC

4.5 lsomeric SMILES

C/C=C/C1=CC2=C(C(=C1)OC)O[C@H]([C@@H]2C)C3=CC(=C(C=C3)O)OC

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 6.50294 -1.36603 0 0
M  V30 2 C 6.50294 -0.366025 0 0
M  V30 3 C 5.63692 0.133975 0 0
M  V30 4 C 4.77089 -0.366025 0 0
M  V30 5 C 3.90487 0.133975 0 0
M  V30 6 C 3.03884 -0.366025 0 0
M  V30 7 C 3.03884 -1.36603 0 0
M  V30 8 C 3.90487 -1.86603 0 0
M  V30 9 C 4.77089 -1.36603 0 0
M  V30 10 O 3.90487 -2.86603 0 0
M  V30 11 C 4.77089 -3.36603 0 0
M  V30 12 O 2.08779 -1.67504 0 0
M  V30 13 C 1.5 -0.866025 0 0
M  V30 14 C 2.08779 -0.0570084 0 0
M  V30 15 C 1.77877 0.894048 0 0
M  V30 16 C 0.5 -0.866025 0 0
M  V30 17 C 5.55112e-16 -1.73205 0 0
M  V30 18 C -1 -1.73205 0 0
M  V30 19 C -1.5 -0.866025 0 0
M  V30 20 C -1 -6.66134e-16 0 0
M  V30 21 C 0 -0 0 0
M  V30 22 O -2.5 -0.866025 0 0
M  V30 23 O -1.5 -2.59808 0 0
M  V30 24 C -2.5 -2.59808 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 2 2 3
M  V30 3 1 3 4
M  V30 4 1 4 9
M  V30 5 2 4 5
M  V30 6 1 5 6
M  V30 7 1 6 14
M  V30 8 2 6 7
M  V30 9 1 7 8
M  V30 10 1 7 12
M  V30 11 2 8 9
M  V30 12 1 8 10
M  V30 13 1 10 11
M  V30 14 1 12 13
M  V30 15 1 13 14
M  V30 16 1 13 16
M  V30 17 1 14 15
M  V30 18 1 16 21
M  V30 19 2 16 17
M  V30 20 1 17 18
M  V30 21 2 18 19
M  V30 22 1 18 23
M  V30 23 1 19 20
M  V30 24 1 19 22
M  V30 25 2 20 21
M  V30 26 1 23 24
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
大马兜铃	Maxima Dutchmanspipe	Aristolochia maxima
红南皮	Red Nanmu Bark	Machilus thunbergii
猕猴桃根	Actinidia Chinensis Planch	-
肉豆蔻	Nutmeg	Semen Myristicae

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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