(3S,3aR,4aS,8aR,9aR)-3,8a-dimethyl-5-methylidene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-2-one

• 常用名: (3S,3aR,4aS,8aR,9aR)-3,8a-dimethyl-5-methylidene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-2-one
• 英文名: (3S,3aR,4aS,8aR,9aR)-3,8a-dimethyl-5-methylidene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-2-one
• CAS号: 1856-58-2
• 分子量: 234.33400
• 密度: N/A
• 沸点: N/A
• 分子式: C₁₅H₂₂O₂
• 熔点: N/A
• 闪点: N/A

名称

• 英文名: (3S,3aR,4aS,8aR,9aR)-3,8a-dimethyl-5-methylidene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-2-one

物理化学性质

• 分子式: C₁₅H₂₂O₂
• 分子量: 234.33400
• 精确质量: 234.16200
• PSA: 26.30000
• LogP: 3.32050
• InChIKey: YYJRTJYCOMIDIC-GGAZOKNXSA-N
• SMILES: C=C1CCCC2(C)CC3OC(=O)C(C)C3CC12
• 蒸汽压: 3.26E-05mmHg at 25°C

靶点实验

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实验名称：Antiproliferative activity against human HT1080 cells assessed as inhibition of cell ... 来源：ChEMBL 靶标：HT-1080 External Id：CHEMBL2342225

实验名称：Toxicity in Salmonella Typhimurium TA98 at 300 ug/plate in presence of liver S9 fract... 来源：ChEMBL 靶标：Salmonella enterica subsp. enterica serovar Typhimurium External Id：CHEMBL961891

实验名称：Inhibition of NLRP3 inflammasome activation in LPS-activated human THP-1 cells assess... 来源：ChEMBL 靶标：NACHT, LRR and PYD domains-containing protein 3 External Id：CHEMBL5549262

实验名称：Antiproliferative activity against human A549 cells assessed as inhibition of cell pr... 来源：ChEMBL 靶标：A549 External Id：CHEMBL2342227

实验名称：Inhibition of NLRP3 inflammasome activation in LPS-activated human THP-1 cells assess... 来源：ChEMBL 靶标：NACHT, LRR and PYD domains-containing protein 3 External Id：CHEMBL5549263

实验名称：Toxicity in Salmonella Typhimurium TA98 at 150 ug/plate in presence of liver S9 fract... 来源：ChEMBL 靶标：Salmonella enterica subsp. enterica serovar Typhimurium External Id：CHEMBL961892

实验名称：Antiproliferative activity against human HepG2 cells assessed as inhibition of cell p... 来源：ChEMBL 靶标：HepG2 External Id：CHEMBL2342226

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英文别名

• Dihydroisoalantolactone
• 11,13-Dihydroisoalantolactone