基本情報
- CAS
22427-39-0- 標準SMILES
CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3O)CC12C- InChIKey
YURJSTAIMNSZAE-UHFFFAOYSA-N- 分子式
- C42H72O14
- 平均分子量
- 801 g/mol
- 単同位体質量
- 800.49220697
概要
2-[[3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol has been reported in Panax japonicus, Panax notoginseng, and Panax ginseng with data available.
名称と識別子
- 優先名称
- 2-[[3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
- IUPAC
- 2-[[3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
- 現地名
- 6α,20-ビス(β-D-グルコピラノシルオキシ)ダンマラ-24-エン-3β,12β-ジオール
- 英語名
- Ginsenoside Rg1
- 分子式
- C42H72O14
- 分子量
- 801.01
名称と別名
NSC303791DIHYDROXYDAMMARENE GLUCOSIDE DERIVginsenoside-Rg12-[[17-[1,5-dimethyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-hex-4-enyl]-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol2-[[3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[6-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triolSCHEMBL26231035DTXSID00865050HMS5082P03s3923Dihydroxydammarane glucoside derivativeNSC-303791(2R,3R,4S,5S,6R)-2-[[(3S,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-Dihydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
物性
構造計算による物性
- XLogP
- 2.7
- 極性表面積
- 239 Ų
- 水素結合供与体数
- 10
- 水素結合受容体数
- 14
- 回転可能結合数
- 10
- 重原子数
- 56
- 形式電荷
- 0
- 複雑度
- 1,410
実験および物理化学的性質
Melting Point194 - 196.5 °C
Physical DescriptionSolid
物理化学的性質
- 融点
- 194 · 194~197℃
- 沸点
- 898.5 · 898.5±65.0 °C(Predicted)
- 比重(密度)
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- 貯蔵温度
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- 溶解性
- DMSO（微量）、メタノール（微量）、ピリジン（微量）
- 酸解離定数(Pka)
- 12.91 · 12.91±0.70(Predicted)
- 外見
- Solid
- 色
- ホワイトからオフホワイト
- 由来生物
- Panax notoginseng (Burk.) F.H.Chen
- 安定性
- 吸湿性
- 主な用途
- 食品および飲料
- 化粧品成分の機能
- 皮膚コンディショニング - 保湿剤ヘアコンディショニング
- InChIKey
- YURJSTAIMNSZAE-OLCOBRLXNA-N
- LogP
- 1.67 · 1.670 (est)
- CAS データベース
- 22427 · 22427-39-0(CAS DataBase Reference)
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。
安全データ
- wgk
- 3
- rtecs
- LY9537200
- hs_code
- 29389090
- risk_code
- 22-39/23/24/25-23/24/25-11
- hazard_code
- Xn,T,F
- safety_code
- 2-45-36/37-16-7-24/25
- Hazard Classifications
- Acute Tox. 4 Oral
- ストレージクラス
- 11 - Combustible Solids
化学と産業
薬理情報
Cellular LocationsCytoplasm
応用分野
説明Ginsenoside RG1(Rg1) is a natural product found in Panax notoginseng, Panax ginseng, and Panax vietnamensis. It is one of the primary bioactive ingredients in Panax notoginseng saponins. Numerous studies have indicated that Rg1 plays significant roles in health benefits such as anticancer, neuroprotective, anti-senescence, anti-inflammation, and antioxidative effects. Also, extensive research has demonstrated that Rg1 is associated with various diseases, including cardiovascular disease, Alzheimer’s disease, spinal cord injury, and liver injury. Xue et al. and Yu et al. demonstrated that Rg1 ameliorated streptozotocin-induced oxidative stress and myocardial apoptosis and suppressed HG-induced mesenchymal activation and fibrosis[1].
使用Ginsenoside Rg1 protects against arthitis through osteoclast differentiation inhibition. Anti-tumor agent, inhibits the NF-kB-dependant MMP-expression in PMA (phorbol myristate acetate)-induced tumor cell invasion.
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