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苦参酮 | 34981-26-5

苦参酮结构式图片|34981-26-5结构式图片
苦参酮
Kurarinone
34981-26-5
C26H30O6
438.513
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:苦参酮结构式
苦参酮MSDS
73198
苦参酮价格
简介
Kurarinone 是从苦参中分离得到的黄酮类化合物,通过抑制 Th1 和 Th17 的细胞分化来抑制实验性自身免疫性脑脊髓炎的发病过程。
名称和标识符
MDL MFCD03411889
InChIKey LTTQKYMNTNISSZ-MWTRTKDXSA-N
Inchi InChI=1S/C26H30O6/c1-14(2)6-7-16(15(3)4)10-19-21(29)12-24(31-5)25-22(30)13-23(32-26(19)25)18-9-8-17(27)11-20(18)28/h6,8-9,11-12,16,23,27-29H,3,7,10,13H2,1-2,4-5H3/t16-,23+/m1/s1
SMILES CC(=CC[C@H](CC1=C2C(=C(C=C1O)OC)C(=O)C[C@@H](C3=C(C=C(C=C3)O)O)O2)C(=C)C)C
别名信息
- 中文别名 -
  • 苦参酮
  • 苦参黄素
  • 苦参黄素,苦参酮
- 英文别名 -
  • 4H-1-Benzopyran-4-one,2-(2,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-5-methoxy-8-[(2R)-5-methyl-2-(1-methylethenyl)-4-hexen-1-yl]-,(2S)-
  • 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one
  • Kurarinone
  • 2-(2,4-dihydroxy-phenyl)-5,7-dihydroxy-8-(2-isopropenyl-5-methyl-hex-4-enyl)-chroman-4-one
  • AC1L2JFT
  • AC1Q6KJI
  • AR-1C6395
  • CHEBI:568666
  • CTK4H3380
  • Oprea1_810065
  • SureCN904617
  • (-)-Kurarinone
  • (2S)-2-(2,4-Dihydroxyphenyl)-2,3-dihydro-7-hydroxy-5-methoxy-8-[(2R)-5-methyl-2-(1-methylethenyl)-4-hexen-1-yl]-4H-1-benzopyran-4-one
  • Marini
  • (2S)-(-)-kurarinone
  • (2S)-(-)-kurarinone
  • 1ST165712
  • 1ST165712
  • CHEBI:66150
  • CHEBI:66150
  • (S)-2-(2,4-Dihydroxyphenyl)-7-hydroxy-5-methoxy-8-((R)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl)chroman-4-one
  • (S)-2-(2,4-Dihydroxyphenyl)-7-hydroxy-5-methoxy-8-((R)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl)chroman-4-one
  • CS-0019608
  • CS-0019608
  • HY-N2279
  • HY-N2279
  • (-)-kurarinone
  • (-)-kurarinone
  • Kurarinone, >=98% (HPLC)
  • Kurarinone, >=98% (HPLC)
  • (2S)-2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8-[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-2,3-dihydrochromen-4-one
  • (2S)-2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8-[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-2,3-dihydrochromen-4-one
  • Q27134672
  • Q27134672
  • LMPK12140499
  • LMPK12140499
  • (2S)-2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8-[(2R)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-2,3-dihydro-4H-chromen-4-one
  • (2S)-2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8-[(2R)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-2,3-dihydro-4H-chromen-4-one
  • 34981-26-5
  • DTXSID60956438
  • 34981-26-5
  • C17446
  • DTXSID60956438
  • 7,2',4'-Trihydroxy-8-lavandulyl-5-methoxyflavanone
  • C17446
  • MS-27860
  • 7,2',4'-Trihydroxy-8-lavandulyl-5-methoxyflavanone
  • SCHEMBL563362
  • MS-27860
  • AC-34397
  • SCHEMBL563362
  • AKOS030530879
  • AC-34397
  • (2S)-2-[2,4-bis(oxidanyl)phenyl]-5-methoxy-8-[(2R)-5-methyl-2-prop-1-en-2-yl-hex-4-enyl]-7-oxidanyl-2,3-dihydrochromen-4-one
  • AKOS030530879
  • J0U
  • (2S)-2-[2,4-bis(oxidanyl)phenyl]-5-methoxy-8-[(2R)-5-methyl-2-prop-1-en-2-yl-hex-4-enyl]-7-oxidanyl-2,3-dihydrochromen-4-one
  • FT-0686651
  • CHEBI:188890
  • J0U
  • AKOS015960512
  • FT-0686651
  • BDBM50486896
  • CHEBI:188890
  • FT-0775939
  • AKOS015960512
  • 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(2-isopropenyl-5-methyl-hex-4-enyl)chroman-4-one
  • BDBM50486896
  • CHEMBL492826
  • FT-0775939
  • SCHEMBL904617
  • 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(2-isopropenyl-5-methyl-hex-4-enyl)chroman-4-one
  • LMPK12140467
  • CHEMBL492826
  • 4H-1-Benzopyran-4-one, 2-(2,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy- methoxy-8-[5-methyl-2-(1-methylethenyl)-4-hexenyl]-
  • SCHEMBL904617
  • (2S)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-2,3-dihydrochromen-4-one
  • LMPK12140467
  • 4H-1-Benzopyran-4-one, 2-(2,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy- methoxy-8-[5-methyl-2-(1-methylethenyl)-4-hexenyl]-
  • (2S)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-2,3-dihydrochromen-4-one
  • (2R)-2-(2,4-Dihydroxyphenyl)-7-hydroxy-5-methoxy-8-[(2S)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-2,3-dihydrochromen-4-one
  • BDBM50486907
  • 2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one
  • CHEMBL492827
  • SCHEMBL904627
  • 7,2',4'-trihydroxy-8-lavandulyl-5-methoxyflavanone
物化性质
实验特性
LogP 5.60960
PSA 96.22000
折射率 1.622
沸点 659.3°Cat760mmHg
熔点 117-119 ºC
蒸气压 0.0±2.0 mmHg at 25°C
闪点 224.8°C
溶解度 Insuluble (1.1E-3 g/L) (25 ºC),
颜色与性状 Powder
密度 1.215±0.06 g/cm3 (20 ºC 760 Torr),
计算特性
精确分子量 438.20400
氢键供体数量 3
氢键受体数量 6
可旋转化学键数量 7
同位素质量 424.188589
重原子数量 32
复杂度 684
同位素原子数量 0
确定原子立构中心数量 0
不确定原子立构中心数量 2
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) 5.6
拓扑分子极性表面积 107
分子量 438.5
专业数据库参考
PubChemId 73198
参考资料
Reaxys RN
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