基本情報
- CAS
22888-70-6- 標準SMILES
COc1cc(C2Oc3cc(C4Oc5cc(O)cc(O)c5C(=O)C4O)ccc3OC2CO)ccc1O- InChIKey
SEBFKMXJBCUCAI-UHFFFAOYSA-N- 分子式
- C25H22O10
- 平均分子量
- 482.4 g/mol
- 単同位体質量
- 482.12129689
概要
3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3,4-dihydro-2H-1-benzopyran-4-one is a flavonolignan.
名称と識別子
- 優先名称
- Silymarin
- IUPAC
- 3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one
- 現地名
- オオアザミエキス
- 英語名
- Milk Thistle Extract
- 分子式
- C25H22O10
- 分子量
- 482.43618
名称と別名
SILYMARIN65666-07-1Silimarin3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one3,5,7-trihydroxy-2-(3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydrochromen-4-oneRefChem:931755DTXSID5023580613-830-9Silybin84604-20-6Flavobin Spofa(2S)-3,5,7-trihydroxy-2-[(2S,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one
名称をさらに表示
オオアザミエキスPOWDERED ミルク シスル 抽出物Silybum marianum, ext.Unii-822I9lej7sEinecs 283-298-7Silymarin 80% UVFly thistle extractMilk Thistle Extractmilk thistle extractSilymarin, SilymarineLady'S thistle extractExtract of lady'S thistle
(2R,3R)-3,5,7-trihydroxy-2-[(2R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-oneSilymarin (>80%)Silibin142796-20-13,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxy-phenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]chroman-4-one3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3,4-dihydro-2H-1-benzopyran-4-one3,5,7-trihydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydro-4H-chromen-4-one4H-1-Benzopyran-4-one,2-[2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxin-6-yl]-2,3-dihydro-3,5,7-trihydroxy-
物性
構造計算による物性
- XLogP
- 2.4
- 極性表面積
- 155 Ų
- 水素結合供与体数
- 5
- 水素結合受容体数
- 10
- 回転可能結合数
- 4
- 重原子数
- 35
- 形式電荷
- 0
- 複雑度
- 750
実験および物理化学的性質
Drugs
Pharmaceuticals -> Used in Switzerland
Pharmaceuticals
CosmeticsSkin conditioning
LogP2.07
Melting Point167 °C
Physical DescriptionSolid
物理化学的性質
- 比重(密度)
- 1.144 · 1.144
- 蒸気圧
- 0.004 Pa · 0.004Pa at 20℃
- Henry's Law Constant
- 6.2 · 6.2×1017 mol/(m3Pa) at 25℃, HSDB (2015)
- 化粧品成分の機能
- 皮膚コンディショニング剤 - 保湿剤肌を保護するスキンコンディショニング
- InChIKey
- SEBFKMXJBCUCAI-REIQKMFONA-N
- SMILES
- [C@@H]1(C2=CC=C3O[C@@H](CO)[C@@H](C4=CC=C(O)C(OC)=C4)OC3=C2)OC2=C(C(O)=CC(O)=C2)C(=O)C1O |&1:0,6,9,r|
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H361 (98.2%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
P203, P260, P280, P318, P319, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 56 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Silymarin
Chemical: Silybum marianum extract
Silymarin: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety Information
Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
IMAP assessments - Silybum marianum extract: Environment tier I assessment
Hazard Classes and CategoriesRepr. 2 (98.2%)
安全データ
- hs_code
- 2932996560
- 有毒物質データの
- 84604-20-6(Hazardous Substances Data)
化学と産業
薬理情報
ATC Code
A - Alimentary tract and metabolism
QA - Alimentary tract and metabolism
MeSH Pharmacological Classification
Naturally occurring or synthetic substances that inhibit or retard oxidation reactions. They counteract the damaging effects of oxidation in animal tissues.
Synthetic or natural substances which are given to prevent a disease or disorder or are used in the process of treating a disease or injury due to a poisonous agent.
Cellular LocationsCytoplasm
用途と製造
UsesUse (kg; approx.) in Germany (2009): >2500
Use ClassificationCosmetics -> Skin conditioning
上流・下流製品情報
上流原料
下流製品
サプライヤー70 社
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