CAS号:480-20-6-香橙素;二氢山奈酚 - Aromadendrin-科华智慧

1. 主信息

英文名:	Aromadendrin
中文名:	香橙素;二氢山奈酚
CAS编号:	480-20-6
化学分子式：	C₁₅H₁₂O₆
化学分子量：	288.25 g/mol
SMILES：	C1=CC(=CC=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
来源：	卫矛
结构类型：	黄酮醇类/二氢黄酮醇类
其它名称或标识：	aromadedrin aromadendrin dihydro-kaempferol dihydro-kempferol dihydrokaempferol

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≥98%	1216	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 33 35 0 1 0 0 0 0 0999 V2000 0.0871 -0.9046 -0.0465 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8955 2.6382 0.1698 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7905 2.8291 -0.0647 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1551 1.7534 -0.0295 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3418 -2.9879 0.0462 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1509 -0.8501 -0.2877 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6377 0.2472 0.4131 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2104 1.5079 -0.3407 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1142 -0.0468 0.2258 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2728 1.7205 -0.1307 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0872 0.4923 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4474 -0.7491 -0.0241 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4822 0.5690 -0.0137 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2083 -1.9192 -0.0072 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9541 -0.1217 1.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6259 -0.2404 -1.0556 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2366 -0.6041 0.0216 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6012 -1.8458 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3117 -0.3916 1.1621 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9835 -0.5102 -1.2285 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8264 -0.5860 -0.1197 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4395 0.3682 1.4885 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3832 1.4364 -1.4206 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7108 -2.8862 -0.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5678 0.0276 2.3396 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9839 -0.1966 -1.9309 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6544 3.4015 -0.3826 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3225 -0.5524 0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9577 -0.4480 2.0342 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3782 -0.6632 -2.2292 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5356 2.4984 -0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7416 -3.7532 0.0411 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5822 -0.8659 0.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 12 1 0 0 0 0 2 8 1 0 0 0 0 2 27 1 0 0 0 0 3 10 2 0 0 0 0 4 13 1 0 0 0 0 4 31 1 0 0 0 0 5 18 1 0 0 0 0 5 32 1 0 0 0 0 6 21 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 22 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 9 15 2 0 0 0 0 9 16 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 12 14 2 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 14 24 1 0 0 0 0 15 19 1 0 0 0 0 15 25 1 0 0 0 0 16 20 2 0 0 0 0 16 26 1 0 0 0 0 17 18 2 0 0 0 0 17 28 1 0 0 0 0 19 21 2 0 0 0 0 19 29 1 0 0 0 0 20 21 1 0 0 0 0 20 30 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

(2R,3R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one

4.2 InChl

InChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H/t14-,15+/m0/s1

4.3 InChlKey

PADQINQHPQKXNL-LSDHHAIUSA-N

4.4 Canonical SMILES

C1=CC(=CC=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O

4.5 lsomeric SMILES

C1=CC(=CC=C1[C@@H]2[C@H](C(=O)C3=C(C=C(C=C3O2)O)O)O)O

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 21 23 0 0 1
M  V30 BEGIN ATOM
M  V30 1 C 1.73205 1 0 0
M  V30 2 C 2.59808 1.5 0 0
M  V30 3 C 3.4641 1 0 0
M  V30 4 C 3.4641 2.88658e-15 0 0
M  V30 5 C 2.59808 -0.5 0 0
M  V30 6 C 1.73205 1.9984e-15 0 0
M  V30 7 C 0.866025 -0.5 0 0
M  V30 8 C 0.866025 -1.5 0 0
M  V30 9 C 3.66374e-15 -2 0 0
M  V30 10 O 5.55112e-15 -3 0 0
M  V30 11 C -0.866025 -1.5 0 0
M  V30 12 C -1.73205 -2 0 0
M  V30 13 C -2.59808 -1.5 0 0
M  V30 14 C -2.59808 -0.5 0 0
M  V30 15 C -1.73205 -3.21965e-15 0 0
M  V30 16 C -0.866025 -0.5 0 0
M  V30 17 O 0 -0 0 0
M  V30 18 O -3.4641 -6.43929e-15 0 0
M  V30 19 O -1.73205 -3 0 0
M  V30 20 O 1.73205 -2 0 0
M  V30 21 O 4.33013 1.5 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 6
M  V30 2 2 1 2
M  V30 3 1 2 3
M  V30 4 2 3 4
M  V30 5 1 3 21
M  V30 6 1 4 5
M  V30 7 2 5 6
M  V30 8 1 6 7
M  V30 9 1 7 17
M  V30 10 1 7 8
M  V30 11 1 8 9
M  V30 12 1 8 20
M  V30 13 2 9 10
M  V30 14 1 9 11
M  V30 15 1 11 16
M  V30 16 2 11 12
M  V30 17 1 12 13
M  V30 18 1 12 19
M  V30 19 2 13 14
M  V30 20 1 14 15
M  V30 21 1 14 18
M  V30 22 2 15 16
M  V30 23 1 16 17
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
巴旦杏仁	Amygdalate Apricot Seed	Prunus amygdalus
北沙参	root of Coastal Glehnia	Radix Glehniae
蓖麻子	Castor Seed	Semen Ricini
侧柏叶	leafy twigs of Oriental Arborvitae	Cacumen et Folium Biotae
凤尾蕨	Nervous Brake	Pteris cretica var. nervosa [Syn. Pteris nervosa ]
覆盆子	Rubi Fructus	-
鬼箭羽	twig of Winged Euonymus	Ramulus Euonymi
葫芦茶	Triquetrous Tadehagi	Tadehagi triquetrum
木通	Akebia, Clematis stem	Caulis Aristolochiae seu Clematis
桑枝	Mulberry Twig	Ramulus Mori

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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