CAS号:37308-75-1-黄卡瓦胡椒素 C - 2',4-Dihydroxy-4',6'-dimethoxychalcone-科华智慧

1. 主信息

英文名:	2',4-Dihydroxy-4',6'-dimethoxychalcone
中文名:	黄卡瓦胡椒素 C
CAS编号:	37308-75-1
化学分子式：	C₁₇H₁₆O₅
化学分子量：	300.30 g/mol
SMILES：	COC1=CC(=C(C(=C1)OC)C(=O)C=CC2=CC=C(C=C2)O)O
来源：	卡瓦胡椒
结构类型：	简单苯丙素类
其它名称或标识：	flavokawain C

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%	1600	点击购买	2-8°C	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 -1.9559 -1.5632 -1.5109 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3833 1.5560 -0.4078 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6587 1.0323 2.5154 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5010 -1.9432 1.5183 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8886 1.2647 -0.9979 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7973 -0.2708 0.5049 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4571 -0.6261 -0.6572 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3076 0.6805 1.3694 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6693 -0.0087 -0.9658 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2006 0.9533 -0.1068 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5197 1.2979 1.0608 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5085 -0.9268 0.8329 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2286 -0.2816 0.2022 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7397 -0.2888 0.3294 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9463 -0.8242 0.6225 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2932 0.6003 -0.8765 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3940 -0.6440 0.8777 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5233 1.1199 -1.2797 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6240 -0.1242 0.4746 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6887 0.7578 -0.6041 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3413 -2.9172 -1.2843 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0264 1.1563 -1.6171 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1511 -0.3171 -1.8879 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9344 2.0478 1.7297 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6190 0.6195 -0.2496 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9979 -1.7243 1.2312 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4156 0.8949 -1.4445 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3634 -1.3291 1.7216 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5614 1.8027 -2.1243 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5284 -0.4098 1.0048 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8524 0.5039 2.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4124 -3.0414 -1.4722 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1035 -3.2331 -0.2643 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7891 -3.5513 -1.9833 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4197 1.4011 -2.4956 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9522 1.7353 -1.6972 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3122 0.0992 -1.5907 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7471 1.8560 -1.7571 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 21 1 0 0 0 0 2 10 1 0 0 0 0 2 22 1 0 0 0 0 3 8 1 0 0 0 0 3 31 1 0 0 0 0 4 12 2 0 0 0 0 5 20 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 6 12 1 0 0 0 0 7 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 23 1 0 0 0 0 10 11 2 0 0 0 0 11 24 1 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 15 2 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0 16 18 1 0 0 0 0 16 27 1 0 0 0 0 17 19 2 0 0 0 0 17 28 1 0 0 0 0 18 20 2 0 0 0 0 18 29 1 0 0 0 0 19 20 1 0 0 0 0 19 30 1 0 0 0 0 21 32 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one

4.2 InChl

InChI=1S/C17H16O5/c1-21-13-9-15(20)17(16(10-13)22-2)14(19)8-5-11-3-6-12(18)7-4-11/h3-10,18,20H,1-2H3/b8-5+

4.3 InChlKey

UXUFMIJZNYXWDX-VMPITWQZSA-N

4.4 Canonical SMILES

COC1=CC(=C(C(=C1)OC)C(=O)C=CC2=CC=C(C=C2)O)O

4.5 lsomeric SMILES

COC1=CC(=C(C(=C1)OC)C(=O)/C=C/C2=CC=C(C=C2)O)O

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 6.9282 -3 0 0
M  V30 2 O 6.9282 -2 0 0
M  V30 3 C 6.06218 -1.5 0 0
M  V30 4 C 5.19615 -2 0 0
M  V30 5 C 4.33013 -1.5 0 0
M  V30 6 C 4.33013 -0.5 0 0
M  V30 7 C 5.19615 -1.97065e-15 0 0
M  V30 8 C 6.06218 -0.5 0 0
M  V30 9 O 5.19615 1 0 0
M  V30 10 C 4.33013 1.5 0 0
M  V30 11 C 3.4641 -1.27676e-15 0 0
M  V30 12 O 3.4641 1 0 0
M  V30 13 C 2.59808 -0.5 0 0
M  V30 14 C 1.73205 -1.02696e-15 0 0
M  V30 15 C 0.866025 -0.5 0 0
M  V30 16 C 0.866025 -1.5 0 0
M  V30 17 C -2.88444e-16 -2 0 0
M  V30 18 C -0.866025 -1.5 0 0
M  V30 19 C -0.866025 -0.5 0 0
M  V30 20 C 0 0 0 0
M  V30 21 O -1.73205 -2 0 0
M  V30 22 O 3.4641 -2 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 8
M  V30 4 2 3 4
M  V30 5 1 4 5
M  V30 6 2 5 6
M  V30 7 1 5 22
M  V30 8 1 6 7
M  V30 9 1 6 11
M  V30 10 2 7 8
M  V30 11 1 7 9
M  V30 12 1 9 10
M  V30 13 2 11 12
M  V30 14 1 11 13
M  V30 15 2 13 14
M  V30 16 1 14 15
M  V30 17 1 15 20
M  V30 18 2 15 16
M  V30 19 1 16 17
M  V30 20 2 17 18
M  V30 21 1 18 19
M  V30 22 1 18 21
M  V30 23 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

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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