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灯盏花素 | 116122-36-2

灯盏花素结构式图片|116122-36-2结构式图片
灯盏花素
Breviscapin
116122-36-2
C21H18O12
462.36042
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:灯盏花素结构式
185617
灯盏花素价格
名称和标识符
InChIKey DJSISFGPUUYILV-ZFORQUDYSA-N
Inchi InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)10-5-9(23)13-11(31-10)6-12(14(24)15(13)25)32-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-22,24-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1
SMILES OC1C=CC(C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)O)O)=CC=1
别名信息
- 中文别名 -
  • 红盏花素
  • 灯盏花素
  • 红盏花素,Breviscapine,植物提取物,标准品,对照品
- 英文别名 -
  • Breviscapin
  • 4H-1-benzopyran-4-one, 7-(beta-D-glucopyranuronosyloxy)-5,6-dihydroxy-2-(4-hydroxyphenyl)-
  • 5,6-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranosiduronic acid
  • Breviscapine
  • (2S,3S,4S,5R,6S)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
  • 5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4h-chromen-7-yl
  • A-d-glucopyranosiduronic acid
  • Scutellarein-7beta-D-glucuronide
  • Scutellarein-7beta-D-glucuronoside
  • Scutellarein-7-glucuronide
  • A natural extract containing apigenin 7-glucuronide and scutellarein 7-glucuronide
  • Scutellarin hydrate
  • Breviscapine,Erigeron Breviscapus
  • 7-(β-D-Glucopyranuronosyloxy)-5,6-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one hydrate
  • 5,6-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl--D-glucopyranosiduronic acid hydrate
  • Q-100351
  • CHEMBL487805
  • UNII-16IGP0ML9A
  • MEGxp0_000554
  • (2S,3S,4S,5R,6S)-6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-7-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
  • Flavone, 4',5,6,7-tetrahydroxy-, 7-beta-D-glucopyranuronoside
  • .BETA.-D-GLUCOPYRANOSIDURONIC ACID, 5,6-DIHYDROXY-2-(4-HYDROXYPHENYL)-4-OXO-4H-1-BENZOPYRAN-7-YL
  • new-breviscapine
  • CCG-269364
  • SCUTELLAREIN GLUCURONIDE [MI]
  • CHEBI:61278
  • Glucopyranosiduronic acid, 5,6-dihydroxy-2-(p-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl, beta-D-
  • 27740-01-8
  • SCUTELLAREIN 7-O-.BETA.-GLUCURONIDE
  • A819175
  • SCUTELLAREIN 7-.BETA.-D-GLUCURONOSIDE
  • CCG-269365
  • NCGC00480778-01
  • beta-D-Glucopyranosiduronic acid, 5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl
  • (2S,3S,4S,5R,6S)-6-(5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yloxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
  • 5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranosiduronic acid
  • FLAVONE, 4',5,6,7-TETRAHYDROXY-, 7-.BETA.-D-GLUCOPYRANURONOSIDE
  • Scutellarin
  • BDBM50242284
  • Scutellarein 7-O-beta-D-glucuronide
  • SCUTELLAREIN 7-O-GLUCURONIDE
  • Scutellarein 7-beta-D-glucuronide
  • dengzhanhua
  • (2S,3S,4S,5R,6S)-6-[5,6-DIHYDROXY-2-(4-HYDROXYPHENYL)-4-OXO-CHROMEN-7-YL]OXY-3,4,5-TRIHYDROXY-OXANE-2-CARBOXYLIC ACID
  • 16IGP0ML9A
  • SCHEMBL4211849
  • BCP11536
  • Scutellarin B
  • S-7-G
  • Scutellarin,(S)
  • (2S,3S,4S,5R,6S)-6-((5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
  • BS-16838
  • Q410712
  • Breviscapin
  • Scutellarein-7-glucuronide
  • Scutellarin B
  • HY-N0751
  • 7-(beta-d-glucopyranuronosyloxy)-5,6-dihydroxy-2-(4-hydroxyphenyl)-4h-1-benzopyran-4-one
  • NS00015058
  • SCUTELLAREIN GLUCURONIDE [WHO-DD]
  • 116122-36-2
  • Scutellarein 7-glucuronide
  • GLUCOPYRANOSIDURONIC ACID, 5,6-DIHYDROXY-2-(P-HYDROXYPHENYL)-4-OXO-4H-1-BENZOPYRAN-7-YL, .BETA.-D-
  • s3810
  • SCUTELLAREIN 7-O-.BETA.-D-GLUCURONIDE
  • 4H-1-Benzopyran-4-one, 7-(.beta.-D-glucopyranuronosyloxy)-5,6-dihydroxy-2-(4-hydroxyphenyl)-
  • AC-6073
  • SCUTELLAREIN 7-.BETA.-D-GLUCURONIDE
  • AKOS016009652
  • CS-4273
  • DTXSID101336184
  • Scutellarin, analytical standard
  • Scutellarein-7-O-beta-D-glucuronide
  • BREVISCAPIN
  • FT-0630536
  • SCHEMBL16519697
  • 6-[5,6-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
物化性质
实验特性
LogP -0.01000
PSA 394.47000
折射率 1.763
沸点 891.6°Cat760mmHg
闪点 314.9°C
颜色与性状 Yellow powder
密度 1.81
计算特性
精确分子量 908.16500
氢键供体数量 7
氢键受体数量 12
可旋转化学键数量 4
同位素质量 462.079826
重原子数量 33
复杂度 777
同位素原子数量 0
确定原子立构中心数量 5
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 0.8
拓扑分子极性表面积 203
安全信息
储存条件 2-8°C
生产方法和用途
用途 1、活血化淤,通络止痛。适用于偏瘫、脑梗塞、脑拴形成、中风后遗症、冠心病、心绞痛、缺血性心脏病、老年痴呆、高粘滞血症、眩晕症等
专业数据库参考
PubChemId 185617
化合物详情(旧版)

SMILES

OC1=CC=C(C=C1)C2OC3C(C(=O)C=2)=C(O)C(O)=C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O4)C=3

扩展阅读
红盏花素 http://www.biopurify.cn/p-2373.html
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