CAS号:552-58-9-圣草酚 - Eriodictyol-科华智慧

1. 主信息

英文名:	Eriodictyol
中文名:	圣草酚
CAS编号:	552-58-9
化学分子式：	C₁₅H₁₂O₆
化学分子量：	288.25 g/mol
SMILES：	C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O
来源：	落花生
结构类型：	黄酮类/二氢黄酮类
其它名称或标识：	eriodictyol

2. 供应商与价格

供应商

包装规格

含量

价格(元)

环境要求

货期

说明

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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 0.2555 -0.7760 -0.0263 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9959 2.9376 -0.1320 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3528 1.8339 -0.0344 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4895 -2.9112 -0.0250 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4857 -0.3549 -2.1191 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0057 -0.5257 0.2012 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4206 0.3672 0.5202 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0226 1.6438 -0.2179 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9131 0.1281 0.4318 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2725 0.5948 -0.0358 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4680 1.8321 -0.1063 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6199 -0.6415 -0.0223 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6682 0.6563 -0.0264 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5242 -0.0067 -0.8144 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6756 0.0434 1.5964 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3668 -1.8202 -0.0335 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4095 -0.5258 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7608 -1.7611 -0.0255 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8991 -0.2265 -0.8963 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0506 -0.1764 1.5144 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6623 -0.3113 0.2682 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1350 0.4483 1.5796 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5237 2.5120 0.2246 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2573 1.6058 -1.2876 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9332 0.0467 -1.7252 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2137 0.1465 2.5745 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8653 -2.7848 -0.0379 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4965 -0.4885 -0.0104 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6397 -0.2414 2.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3085 1.6541 -0.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4355 -2.6857 -0.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8053 -0.2674 -2.8085 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2581 -0.5945 -0.7360 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 11 2 0 0 0 0 3 13 1 0 0 0 0 3 30 1 0 0 0 0 4 18 1 0 0 0 0 4 31 1 0 0 0 0 5 19 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 11 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 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 12 1 0 0 0 0 10 13 2 0 0 0 0 12 16 2 0 0 0 0 13 17 1 0 0 0 0 14 19 1 0 0 0 0 14 25 1 0 0 0 0 15 20 2 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 18 2 0 0 0 0 17 28 1 0 0 0 0 19 21 2 0 0 0 0 20 21 1 0 0 0 0 20 29 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

(2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one

4.2 InChl

InChI=1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2/t13-/m0/s1

4.3 InChlKey

SBHXYTNGIZCORC-ZDUSSCGKSA-N

4.4 Canonical SMILES

C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O

4.5 lsomeric SMILES

C1[C@H](OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)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 -0.866025 2.5 0 0
M  V30 2 C -0.866025 1.5 0 0
M  V30 3 O -1.73205 1 0 0
M  V30 4 C -2.59808 1.5 0 0
M  V30 5 C -3.4641 1 0 0
M  V30 6 C -4.33013 1.5 0 0
M  V30 7 C -4.33013 2.5 0 0
M  V30 8 C -3.4641 3 0 0
M  V30 9 C -2.59808 2.5 0 0
M  V30 10 C -1.73205 3 0 0
M  V30 11 O -1.73205 4 0 0
M  V30 12 O -3.4641 4 0 0
M  V30 13 O -5.19615 1 0 0
M  V30 14 C -3.88578e-16 1 0 0
M  V30 15 C 0.866025 1.5 0 0
M  V30 16 C 1.73205 1 0 0
M  V30 17 C 1.73205 6.66134e-16 0 0
M  V30 18 C 0.866025 -0.5 0 0
M  V30 19 C 0 -0 0 0
M  V30 20 O 2.59808 -0.5 0 0
M  V30 21 O 2.59808 1.5 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 10
M  V30 2 1 1 2
M  V30 3 1 2 3
M  V30 4 1 2 14
M  V30 5 1 3 4
M  V30 6 1 4 9
M  V30 7 2 4 5
M  V30 8 1 5 6
M  V30 9 2 6 7
M  V30 10 1 6 13
M  V30 11 1 7 8
M  V30 12 2 8 9
M  V30 13 1 8 12
M  V30 14 1 9 10
M  V30 15 2 10 11
M  V30 16 1 14 19
M  V30 17 2 14 15
M  V30 18 1 15 16
M  V30 19 2 16 17
M  V30 20 1 16 21
M  V30 21 1 17 18
M  V30 22 1 17 20
M  V30 23 2 18 19
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
半枝莲	all - grass of Barbed Skullcap	Herba Scutellariae barbatae
薄荷	Mentha, Peppermint	herba Menthae
大翅蓟	Scotch Cottonthistle	Onopordum acanthium
凤尾草	all - grass of Chinese Brake	Herba Pteridis multifidae
骨碎补	rhizome of Heartleaf Dryria	Rhizoma Dryriae
鬼箭羽	twig of Winged Euonymus	Ramulus Euonymi
黄芩	root of Baikal skullcap	Radix Scutellariae
鸡血藤	Suberect Spatholobus Stem	Caulis Millettiae; Caulis spatholobi
金荞麦	Rhizome fagopyri dibotryis	-

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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