基本信息
- CAS
70815-32-6- 标准SMILES
COc1cc([C@H]2Oc3ccc([C@@H]4CC(=O)c5c(O)cc(O)cc5O4)cc3O[C@@H]2CO)ccc1O- InChIKey
CRPGUMMYQABYES-DNVKUUNQSA-N- 分子式
- C25H22O9
- 平均分子量
- 466.4 g/mol
- 单同位素质量
- 466.12638228
概述
Silandrin is a flavonolignan isolated from milk thistle, Silybum marianum, and has been shown to exhibit hepatoprotective activity. It has a role as a metabolite and a hepatoprotective agent. It is a polyphenol, an aromatic ether, a benzodioxine and a flavonolignan.
名称与标识
- 首选名称
- (2S)-2-((2R,3R)-2,3-Dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-1,4-benzodioxin-6-yl)-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one
- IUPAC
- (2S)-5,7-dihydroxy-2-[(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one
- 英文名
- Silandrin
- 分子式
- C25H22O9
- 分子量
- 466.44
名称与别名
Silandrin70815-32-6CHEBI:9138DTXSID60331605(2S)-5,7-dihydroxy-2-[(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one(2S)-5,7-dihydroxy-2-((2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydrochromen-4-oneRefChem:1049932DTXCID70282699(2S)-2-((2R,3R)-2,3-Dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-1,4-benzodioxin-6-yl)-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-oneSilandrin hplc(-)-silandrinC08600
展开更多名称
SCHEMBL29369285LMPK12140414(2S)-2alpha-[[(2R,3R)-2,3-Dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-1,4-benzodioxin]-6-yl]-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-oneFS137963Q27108288(2S)-5,7-Dihydroxy-2-[(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydro-4H-1-benzopyran-4-one(2S)-5,7-dihydroxy-2-[(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydro-4H-chromen-4-one
性质
结构计算性质
- XLogP
- 3
- 极性表面积
- 135 Ų
- 氢键供体
- 4
- 氢键受体
- 9
- 可旋转键
- 4
- 重原子
- 34
- 形式电荷
- 0
- 复杂度
- 718
实验与物化性质
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavanones [PK1214]
化学与工业
供应商3 家
Apin Chemicals Limited (UK)[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
3B Scientific Corporation[email protected]
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