CAS号:23513-08-8-8-姜酚 - (8)-Gingerol-科华智慧

1. 主信息

英文名:	(8)-Gingerol
中文名:	8-姜酚
CAS编号:	23513-08-8
化学分子式：	C₁₉H₃₀O₄
化学分子量：	322.4 g/mol
SMILES：	CCCCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O
来源：	姜
结构类型：	简单酚类化合物
其它名称或标识：	8-gingerol

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%	760	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 53 53 0 1 0 0 0 0 0999 V2000 2.4071 0.5245 1.7162 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0477 1.7521 1.2613 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6287 -1.6636 0.9887 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7789 -0.5053 -1.2613 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8753 0.3690 0.1412 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5047 -0.1481 -0.3123 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0488 -0.3931 -0.4823 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3523 0.6618 0.2967 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4158 0.0693 0.0296 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0011 0.1456 -0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5439 -0.7739 -0.5713 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1852 0.8841 0.4009 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9333 -0.3725 -0.0714 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5569 0.4379 -0.0869 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7153 1.2186 0.5367 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0598 -1.1896 -0.6851 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0706 0.7553 0.0587 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7280 -0.2489 0.7511 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6313 1.3424 -1.0643 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9796 -0.6773 0.3091 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8829 0.9139 -1.5065 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5570 -0.0960 -0.8197 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3801 -3.0062 0.5769 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9650 1.4321 -0.1141 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9498 0.2981 1.2331 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4162 -1.2016 -0.0184 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4458 -0.1053 -1.4065 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0116 -0.2820 -1.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9288 -1.4627 -0.2689 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4636 1.7261 0.0616 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5663 1.1253 -0.2239 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4444 -0.0095 1.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8819 -0.9118 0.0587 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9440 0.2473 -1.2951 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3726 -1.8315 -0.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5166 -0.6856 -1.6645 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1058 0.6876 -0.2925 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9714 -0.4794 1.0193 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6600 -0.6291 0.1432 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5766 0.5519 -1.1771 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6707 1.1411 1.6314 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5994 2.2898 0.3233 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2983 -0.4177 1.9311 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0267 -0.8602 -0.2921 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0767 -1.0749 -1.7734 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9411 -2.2528 -0.4534 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2792 -0.7042 1.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1127 2.1278 -1.6065 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3209 1.3750 -2.3877 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0178 0.0072 -2.0527 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3216 -3.2558 0.7023 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6796 -3.1517 -0.4658 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9737 -3.6736 1.2075 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 43 1 0 0 0 0 2 12 2 0 0 0 0 3 20 1 0 0 0 0 3 23 1 0 0 0 0 4 22 1 0 0 0 0 4 50 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 6 8 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 9 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 10 1 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 12 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 13 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 14 1 0 0 0 0 13 16 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 17 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 47 1 0 0 0 0 19 21 2 0 0 0 0 19 48 1 0 0 0 0 20 22 2 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one

4.2 InChl

InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3/t16-/m0/s1

4.3 InChlKey

BCIWKKMTBRYQJU-INIZCTEOSA-N

4.4 Canonical SMILES

CCCCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O

4.5 lsomeric SMILES

CCCCCCC[C@@H](CC(=O)CCC1=CC(=C(C=C1)O)OC)O

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 23 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 5.19615 7 0 0
M  V30 2 C 4.33013 7.5 0 0
M  V30 3 C 3.4641 7 0 0
M  V30 4 C 3.4641 6 0 0
M  V30 5 C 2.59808 5.5 0 0
M  V30 6 C 2.59808 4.5 0 0
M  V30 7 C 1.73205 4 0 0
M  V30 8 C 1.73205 3 0 0
M  V30 9 C 0.866025 2.5 0 0
M  V30 10 C 0.866025 1.5 0 0
M  V30 11 O 2.498e-15 1 0 0
M  V30 12 C 1.73205 1 0 0
M  V30 13 C 1.73205 1.22125e-15 0 0
M  V30 14 C 0.866025 -0.5 0 0
M  V30 15 C 0.866025 -1.5 0 0
M  V30 16 C 1.77636e-15 -2 0 0
M  V30 17 C -0.866025 -1.5 0 0
M  V30 18 C -0.866025 -0.5 0 0
M  V30 19 C -0 -0 0 0
M  V30 20 O -1.73205 -2 0 0
M  V30 21 O 1.9984e-15 -3 0 0
M  V30 22 C -0.866025 -3.5 0 0
M  V30 23 O 2.59808 2.5 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 3 4
M  V30 4 1 4 5
M  V30 5 1 5 6
M  V30 6 1 6 7
M  V30 7 1 7 8
M  V30 8 1 8 9
M  V30 9 1 8 23
M  V30 10 1 9 10
M  V30 11 2 10 11
M  V30 12 1 10 12
M  V30 13 1 12 13
M  V30 14 1 13 14
M  V30 15 1 14 19
M  V30 16 2 14 15
M  V30 17 1 15 16
M  V30 18 2 16 17
M  V30 19 1 16 21
M  V30 20 1 17 18
M  V30 21 1 17 20
M  V30 22 2 18 19
M  V30 23 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
豆蔻	Round Cardamon Fruit	Fructus Amomi Rotundus
干姜	Dried Ginger	Rhizoma Zingiberis
钩藤	Gambir Plant	Ramulus Uncariae cum Uncis
生姜	Fresh Ginger	Rhizoma Zingiberis Recens

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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