CAS号:21763-80-4-5-羟基-3',4',6,7-四甲氧基黄酮（5-去甲基甜橙黄酮） - 5-Hydroxy-3',4',6,7-tetramethoxyflavone-科华智慧

1. 主信息

英文名:	5-Hydroxy-3',4',6,7-tetramethoxyflavone
中文名:	5-羟基-3',4',6,7-四甲氧基黄酮（5-去甲基甜橙黄酮）
CAS编号:	21763-80-4
化学分子式：	C₁₉H₁₈O₇
化学分子量：	358.3 g/mol
SMILES：	COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC
来源：	-
结构类型：	-
其它名称或标识：	5-hydroxy-3',4',6,7-tetramethoxyflavone HTMF

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 44 46 0 0 0 0 0 0 0999 V2000 -0.0521 0.3650 -0.1549 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5669 0.1758 0.1045 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2474 2.5684 -0.3154 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1571 -2.1422 0.4009 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7999 -3.2620 0.4686 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6243 2.0351 0.6100 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2612 0.0252 -0.3931 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0808 -0.9403 0.1296 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4187 0.2677 -0.0824 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7010 -0.7891 -0.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1582 -0.5723 -0.1027 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4756 -0.9798 0.1939 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2853 -2.1679 0.2829 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1497 1.4465 -0.2321 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1806 -2.0101 0.2002 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2042 0.2009 0.0442 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5430 1.4114 -0.1684 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7174 0.6416 0.3045 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9843 -1.5800 -0.6068 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0939 0.8465 0.2081 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9155 -0.1621 -0.2956 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3606 -1.3752 -0.7032 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2642 -0.0280 -1.1218 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5297 3.3102 0.8695 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7264 3.0643 -0.3722 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0511 -0.3497 0.7336 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6360 2.3901 -0.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7720 -2.9086 0.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0954 1.4374 0.7087 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5889 -2.5302 -0.9555 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9944 -2.1630 -1.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5451 -2.8885 0.4886 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3370 -0.0276 -0.9098 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9959 -0.9930 -1.5632 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0475 0.7802 -1.8274 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6006 3.6305 1.3516 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1278 2.7132 1.5651 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1025 4.1984 0.5893 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7348 3.3339 -0.7493 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3693 2.7458 -1.1988 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1727 3.9443 0.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9507 -1.4213 0.9327 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7596 0.2261 1.6177 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0983 -0.1330 0.5052 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 16 1 0 0 0 0 2 23 1 0 0 0 0 3 17 1 0 0 0 0 3 24 1 0 0 0 0 4 12 1 0 0 0 0 4 32 1 0 0 0 0 5 13 2 0 0 0 0 6 20 1 0 0 0 0 6 25 1 0 0 0 0 7 21 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 9 14 2 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 18 2 0 0 0 0 11 19 1 0 0 0 0 12 16 1 0 0 0 0 13 15 1 0 0 0 0 14 17 1 0 0 0 0 14 27 1 0 0 0 0 15 28 1 0 0 0 0 16 17 2 0 0 0 0 18 20 1 0 0 0 0 18 29 1 0 0 0 0 19 22 2 0 0 0 0 19 30 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 31 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 25 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one

4.2 InChl

InChI=1S/C19H18O7/c1-22-12-6-5-10(7-14(12)23-2)13-8-11(20)17-15(26-13)9-16(24-3)19(25-4)18(17)21/h5-9,21H,1-4H3

4.3 InChlKey

QEWSAPKRFOFQIU-UHFFFAOYSA-N

4.4 Canonical SMILES

COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC

4.5 lsomeric SMILES

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 26 28 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 5.19615 1 0 0
M  V30 2 O 4.33013 1.5 0 0
M  V30 3 C 3.4641 1 0 0
M  V30 4 C 3.4641 -6.66134e-16 0 0
M  V30 5 C 2.59808 -0.5 0 0
M  V30 6 C 1.73205 -4.44089e-16 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 0.866025 -0.5 0 0
M  V30 10 C 0.866025 -1.5 0 0
M  V30 11 C 1.11022e-15 -2 0 0
M  V30 12 O 8.88178e-16 -3 0 0
M  V30 13 C -0.866025 -1.5 0 0
M  V30 14 C -1.73205 -2 0 0
M  V30 15 C -2.59808 -1.5 0 0
M  V30 16 C -2.59808 -0.5 0 0
M  V30 17 C -1.73205 -1.44329e-15 0 0
M  V30 18 C -0.866025 -0.5 0 0
M  V30 19 O -0 -0 0 0
M  V30 20 O -3.4641 -4.44089e-15 0 0
M  V30 21 C -4.33013 -0.5 0 0
M  V30 22 O -3.4641 -2 0 0
M  V30 23 C -3.4641 -3 0 0
M  V30 24 O -1.73205 -3 0 0
M  V30 25 O 4.33013 -0.5 0 0
M  V30 26 C 4.33013 -1.5 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 8
M  V30 4 2 3 4
M  V30 5 1 4 5
M  V30 6 1 4 25
M  V30 7 2 5 6
M  V30 8 1 6 7
M  V30 9 1 6 9
M  V30 10 2 7 8
M  V30 11 1 9 19
M  V30 12 2 9 10
M  V30 13 1 10 11
M  V30 14 2 11 12
M  V30 15 1 11 13
M  V30 16 1 13 18
M  V30 17 2 13 14
M  V30 18 1 14 15
M  V30 19 1 14 24
M  V30 20 2 15 16
M  V30 21 1 15 22
M  V30 22 1 16 17
M  V30 23 1 16 20
M  V30 24 2 17 18
M  V30 25 1 18 19
M  V30 26 1 20 21
M  V30 27 1 22 23
M  V30 28 1 25 26
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
艾叶	leaf of Argy Wormwood	Folium Artemisiae Argyi
澳大利亚红豆杉	Australia Yew	Austrotaxus spicata
白叶香茶菜	Whiteleaf Rabdosia	Isodon leucophyllus
单叶蔓荆	Simpleleaf Shrub Chastetree	Vitex rotundifolia [Syn. Vitex trifollia var. simp
黄花蒿	Sweet Wormwood Equivalent plant: Artemisia apiacea	Artemisia annua
橘皮	Tangerine Pericarp	Citrus reticulata
青蒿	Sweet Wormwood Herb	Herba Artemisiae Annuae
射干	Blackberrylily Rhizome	Rhizoma Belamcandae
甜舌草	Sweet-tongue Lippia	Lippia dulcis

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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