CAS号:35354-74-6-和厚朴酚 - Honokiol-科华智慧

1. 主信息

英文名:	Honokiol
中文名:	和厚朴酚
CAS编号:	35354-74-6
化学分子式：	C₁₈H₁₈O₂
化学分子量：	266.3 g/mol
SMILES：	C=CCC1=CC(=C(C=C1)O)C2=CC(=C(C=C2)O)CC=C
来源：	乌头小黄皮白花地胆草木莲石柑子
结构类型：	木质素类
其它名称或标识：	(1,1'-biphenyl)-2,4'-diol, 3',5-di-2-propen-1-yl- 3,5'-diallyl-4,2'-dihydroxybiphenyl honokiol

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%	50	点击购买	2-8℃	现货	-
科华智慧	50mg	标准物质，见证书	115	点击购买	2-8℃	现货	-
科华智慧	1g	98%	256	点击购买	2-8℃	现货	-
科华智慧	5g	98%	784	点击购买	2-8℃	现货	-
科华智慧	25g	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 38 39 0 0 0 0 0 0 0999 V2000 0.2904 2.6918 -1.0322 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3107 -0.4259 1.6356 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9636 0.6990 0.1312 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3999 0.4056 0.5157 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5197 -0.6601 0.0597 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2052 -0.3776 -0.3114 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3065 0.1017 0.1688 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9856 -0.1646 0.5296 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2671 1.8298 -0.6294 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9092 0.9062 1.7137 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0292 -0.1595 1.2579 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3678 -1.5000 -0.8375 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3972 -0.8218 0.5954 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6078 1.2318 -0.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2237 0.6235 2.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5881 2.0959 -0.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1333 -0.6903 -1.8508 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6595 -1.9237 -0.3984 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4684 -0.6356 -1.9154 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5011 -3.2260 -0.1364 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8101 -0.7676 -1.2475 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7560 -1.0487 1.1216 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2950 1.5185 2.3698 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7351 -2.2155 -1.3796 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0448 -2.1265 -0.2425 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3274 -0.2569 0.7397 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1611 -1.2378 1.5838 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6325 1.4500 -0.8801 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6075 1.0200 3.0211 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8379 2.9725 -1.5819 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5559 -0.1296 -2.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0150 -1.6331 -1.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6931 3.4119 -1.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4855 0.0037 2.4904 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9577 -0.0376 -2.6763 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0922 -1.1804 -1.2155 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7156 -3.9694 -0.8962 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1562 -3.5713 0.8319 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 33 1 0 0 0 0 2 11 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 3 9 2 0 0 0 0 4 6 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 11 2 0 0 0 0 5 12 1 0 0 0 0 6 21 1 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 22 1 0 0 0 0 9 16 1 0 0 0 0 10 15 2 0 0 0 0 10 23 1 0 0 0 0 11 15 1 0 0 0 0 12 17 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 18 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 16 2 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 17 19 2 0 0 0 0 17 31 1 0 0 0 0 18 20 2 0 0 0 0 18 32 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol

4.2 InChl

InChI=1S/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2

4.3 InChlKey

FVYXIJYOAGAUQK-UHFFFAOYSA-N

4.4 Canonical SMILES

C=CCC1=CC(=C(C=C1)O)C2=CC(=C(C=C2)O)CC=C

4.5 lsomeric SMILES

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 20 21 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C -3.4641 2 0 0
M  V30 2 C -4.33013 1.5 0 0
M  V30 3 C -4.33013 0.5 0 0
M  V30 4 C -3.4641 3.77476e-15 0 0
M  V30 5 C -2.59808 0.5 0 0
M  V30 6 C -1.73205 2.22045e-15 0 0
M  V30 7 C -1.73205 -1 0 0
M  V30 8 C -2.59808 -1.5 0 0
M  V30 9 C -3.4641 -1 0 0
M  V30 10 O -0.866025 -1.5 0 0
M  V30 11 C -0.866025 0.5 0 0
M  V30 12 C -0.866025 1.5 0 0
M  V30 13 C 8.88178e-16 2 0 0
M  V30 14 C 0.866025 1.5 0 0
M  V30 15 C 0.866025 0.5 0 0
M  V30 16 C 0 -0 0 0
M  V30 17 O 1.73205 2 0 0
M  V30 18 C 1.77636e-15 3 0 0
M  V30 19 C 0.866025 3.5 0 0
M  V30 20 C 1.73205 3 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 2 1 2
M  V30 2 1 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 2 6 7
M  V30 8 1 6 11
M  V30 9 1 7 8
M  V30 10 1 7 10
M  V30 11 2 8 9
M  V30 12 1 11 16
M  V30 13 2 11 12
M  V30 14 1 12 13
M  V30 15 2 13 14
M  V30 16 1 13 18
M  V30 17 1 14 15
M  V30 18 1 14 17
M  V30 19 2 15 16
M  V30 20 1 18 19
M  V30 21 2 19 20
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
凹叶厚朴	Twolobed Officinal Mangolia	Magnolia biloba
八角茴香	Chinese Star Anise	Fructus Anisi Stellati
附子	Common Monkshood Daughter Root	Radix Aconiti Lateralis
藁本	Ligustici Rhizoma Et Radix	-
厚朴	Officinal Magnolia Equivalent plant: Magnolia bilo	Magnolia officinalis
厚朴花	Flos Magnoliae Officinalis	-
厚朴子	Magnolia officinalis Rehd. Et Wils	-
厚朴	bark of Officil magnolia	Cortex Magnoliae officilis
厚朴花	Officinal Magnolia Flower	Flos Magnoliae Offcinalis
日本厚朴	Whiteleaf Japanese Magnolia	Magnolia obovata

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7. 相关靶点

基因靶点	靶点位置	参考文献
ADAMTS4	1q23.3	29649568
ADAMTS5	21q21.3	29649568
AKT1	14q32.33	26454217
AKT1	14q32.33	27940017
AKT1	14q32.33	30587839
BAX	19q13.33	22259050
BAX	19q13.33	29649568
BAX	19q13.33	30587839
BCL2	18q21.33	30587839
BIRC5	17q25.3	29180609

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8. 相关疾病

疾病名称	疾病类型	参考文献
Acute Lung Injury	disease	21279327
Brain Neoplasms	group	22259050
Cardiomegaly	phenotype	25871545
Endotoxemia	phenotype	21279327
Fibrosis	phenotype	21265825
Glioblastoma	disease	30587839
Glioma	disease	30587839
Head and Neck Neoplasms	group	29180609
Inflammation	phenotype	22429472
Inflammation	phenotype	21279327

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