CAS号:520-32-1-苜蓿素 - Tricin-科华智慧

1. 主信息

英文名:	Tricin
中文名:	苜蓿素
CAS编号:	520-32-1
化学分子式：	C₁₇H₁₄O₇
化学分子量：	330.29 g/mol
SMILES：	COC1=CC(=CC(=C1O)OC)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
来源：	玉蜀黍
结构类型：	黄酮类/二氢黄酮类
其它名称或标识：	5,7,4'-trihydroxy-3',5'-dimethoxy-flavone 5,7,4'-trihydroxy-3',5'-dimethoxyflavone tricin

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	5mg	HPLC≥96%	2400	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 40 0 0 0 0 0 0 0999 V2000 -0.8498 0.7221 0.1162 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4627 -1.9719 0.6214 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7275 2.5353 -0.8212 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9558 -1.8149 -0.3309 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5807 -2.8923 -0.6180 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4680 0.5095 -0.0871 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0698 2.8288 0.6587 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0905 -0.4108 -0.1345 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3665 -0.1709 -0.1237 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8731 -0.6011 -0.1191 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2166 0.6045 0.1225 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6051 -1.6247 -0.3876 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0712 -1.8030 -0.3944 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8736 1.0809 -0.4811 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2444 -1.1930 0.2458 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2684 -0.6618 -0.1008 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6204 -0.9647 0.2578 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2496 1.3092 -0.4693 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9539 1.7595 0.3843 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1230 0.2863 -0.0999 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3477 1.7031 0.4038 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0033 0.4949 0.1618 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8677 -3.2195 0.9724 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8826 3.4945 0.2229 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0130 -2.5035 -0.6142 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2110 1.8898 -0.7813 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8206 -2.1433 0.5481 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4456 2.7018 0.5729 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0898 0.4498 0.1765 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3441 -2.5481 -0.4979 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6357 1.4140 -0.4032 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0169 2.6086 0.6332 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3323 -3.6655 0.1272 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2416 -3.1315 1.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6840 -3.9043 1.2252 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5614 3.1216 0.9964 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9108 3.7391 0.6631 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3099 4.4040 -0.2082 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 11 1 0 0 0 0 2 17 1 0 0 0 0 2 23 1 0 0 0 0 3 18 1 0 0 0 0 3 24 1 0 0 0 0 4 16 1 0 0 0 0 4 30 1 0 0 0 0 5 13 2 0 0 0 0 6 20 1 0 0 0 0 6 31 1 0 0 0 0 7 21 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 9 14 2 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 16 2 0 0 0 0 11 19 2 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 14 18 1 0 0 0 0 14 26 1 0 0 0 0 15 17 2 0 0 0 0 15 27 1 0 0 0 0 16 22 1 0 0 0 0 17 20 1 0 0 0 0 18 20 2 0 0 0 0 19 21 1 0 0 0 0 19 28 1 0 0 0 0 21 22 2 0 0 0 0 22 29 1 0 0 0 0 23 33 1 0 0 0 0 23 34 1 0 0 0 0 23 35 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one

4.2 InChl

InChI=1S/C17H14O7/c1-22-14-3-8(4-15(23-2)17(14)21)12-7-11(20)16-10(19)5-9(18)6-13(16)24-12/h3-7,18-19,21H,1-2H3

4.3 InChlKey

HRGUSFBJBOKSML-UHFFFAOYSA-N

4.4 Canonical SMILES

COC1=CC(=CC(=C1O)OC)C2=CC(=O)C3=C(C=C(C=C3O2)O)O

4.5 lsomeric SMILES

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 24 26 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 4.33013 -1.5 0 0
M  V30 2 O 4.33013 -0.5 0 0
M  V30 3 C 3.4641 -2.05391e-15 0 0
M  V30 4 C 2.59808 -0.5 0 0
M  V30 5 C 1.73205 -8.04912e-16 0 0
M  V30 6 C 1.73205 1 0 0
M  V30 7 C 2.59808 1.5 0 0
M  V30 8 C 3.4641 1 0 0
M  V30 9 O 4.33013 1.5 0 0
M  V30 10 O 2.59808 2.5 0 0
M  V30 11 C 1.73205 3 0 0
M  V30 12 C 0.866025 -0.5 0 0
M  V30 13 C 0.866025 -1.5 0 0
M  V30 14 C 3.34135e-16 -2 0 0
M  V30 15 O 5.01202e-16 -3 0 0
M  V30 16 C -0.866025 -1.5 0 0
M  V30 17 C -1.73205 -2 0 0
M  V30 18 C -2.59808 -1.5 0 0
M  V30 19 C -2.59808 -0.5 0 0
M  V30 20 C -1.73205 1.249e-15 0 0
M  V30 21 C -0.866025 -0.5 0 0
M  V30 22 O 0 0 0 0
M  V30 23 O -3.4641 3.83027e-15 0 0
M  V30 24 O -1.73205 -3 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 12
M  V30 8 1 6 7
M  V30 9 2 7 8
M  V30 10 1 7 10
M  V30 11 1 8 9
M  V30 12 1 10 11
M  V30 13 1 12 22
M  V30 14 2 12 13
M  V30 15 1 13 14
M  V30 16 2 14 15
M  V30 17 1 14 16
M  V30 18 1 16 21
M  V30 19 2 16 17
M  V30 20 1 17 18
M  V30 21 1 17 24
M  V30 22 2 18 19
M  V30 23 1 19 20
M  V30 24 1 19 23
M  V30 25 2 20 21
M  V30 26 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
草乌	Kusnezoff Monkshood Root	Radix Aconiti Kusnezoffii
朝鲜淫羊藿	Korean Epimedium	Epimedium koreanum
臭梧桐	Glorybower leaf, Clerodendron leaf	Folium Clerodentri trichotomi
垂盆草	all - grass of Stringy stonecrop	Herba Sedi sarmentosi
粗毛淫羊藿	Acuminatum Epimedium	Epimedium acuminatum
大花红景天	Bigflower Rhodiola	Rhodiola crenulata [Syn. Rhodiola euryphylla]
豆腐柴	Japanese Premna	Premna microphylla
独一味	Common Lamiophlomis	Lamiophlomis rotata [Syn. Phlomis rotata ]
鹅不食草	Small Centipeda Herb	Herba Centipedae
鹅绒藤	Chinese Swallowwort	Cynanchum chinense

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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