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1-hydroxy-6,6-dimethyl-3-(2-methyloctan-2-yl)-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-9-one

更新时间:2025-08-29 11:17:07

1-hydroxy-6,6-dimethyl-3-(2-methyloctan-2-yl)-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-9-one结构式
1-hydroxy-6,6-dimethyl-3-(2-methyloctan-2-yl)-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-9-one结构式
委托求购
常用名 1-hydroxy-6,6-dimethyl-3-(2-methyloctan-2-yl)-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-9-one 英文名 1-hydroxy-6,6-dimethyl-3-(2-methyloctan-2-yl)-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-9-one
CAS号 56496-90-3 分子量 372.54100
密度 1.029g/cm3 沸点 457.4ºC at 760mmHg
分子式 C24H36O3 熔点 N/A
MSDS N/A 闪点 145.4ºC

 名称

英文名 1-hydroxy-6,6-dimethyl-3-(2-methyloctan-2-yl)-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-9-one
英文别名 更多

 物理化学性质

密度 1.029g/cm3
沸点 457.4ºC at 760mmHg
分子式 C24H36O3
分子量 372.54100
闪点 145.4ºC
精确质量 372.26600
PSA 46.53000
LogP 6.26400
InChIKey GECBBEABIDMGGL-UHFFFAOYSA-N
SMILES CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)C1CCC(=O)CC21

 合成线路

~%

1-hydroxy-6,6-dimethyl-3-(2-methyloctan-2-yl)-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-9-one结构式

1-hydroxy-6,6-d...

56496-90-3

文献:Eli Lilly and Company Patent: US4278603 A1, 1981 ;

~%

1-hydroxy-6,6-dimethyl-3-(2-methyloctan-2-yl)-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-9-one结构式

1-hydroxy-6,6-d...

56496-90-3

文献:Eli Lilly and Company Patent: US4054582 A1, 1977 ;

~%

1-hydroxy-6,6-dimethyl-3-(2-methyloctan-2-yl)-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-9-one结构式

1-hydroxy-6,6-d...

56496-90-3

文献:Eli Lilly and Company Patent: US4148809 A1, 1979 ;

~%

1-hydroxy-6,6-dimethyl-3-(2-methyloctan-2-yl)-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-9-one结构式

1-hydroxy-6,6-d...

56496-90-3

文献:Eli Lilly and Company Patent: US4148809 A1, 1979 ;

~41%

1-hydroxy-6,6-dimethyl-3-(2-methyloctan-2-yl)-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-9-one结构式

1-hydroxy-6,6-d...

56496-90-3

文献:Marriott, Karla-Sue C.; Huffman, John W.; Wiley, Jenny L.; Martin, Billy R. Bioorganic and Medicinal Chemistry, 2006 , vol. 14, # 7 p. 2386 - 2397

~%

1-hydroxy-6,6-dimethyl-3-(2-methyloctan-2-yl)-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-9-one结构式

1-hydroxy-6,6-d...

56496-90-3

文献:Eli Lilly and Company Patent: US3968125 A1, 1976 ;

 靶点实验

查看更多实验

实验名称:Compound was evaluated for inhibition of rat Gabra1 in an in vitro assay with cellula...
来源:ChEMBL
靶标:Gamma-aminobutyric acid receptor subunit alpha-1
External Id:CHEMBL5291801
实验名称:Agonist activity at human GABRA1 in an in vitro cell-based assay measured by fluoresc...
来源:ChEMBL
靶标:Gamma-aminobutyric acid receptor subunit gamma-2
External Id:CHEMBL5291796
实验名称:Binding affinity towards rat Gabra1 in an in vitro assay with cellular components mea...
来源:ChEMBL
靶标:Gamma-aminobutyric acid receptor subunit alpha-1
External Id:CHEMBL5291798
实验名称:Antagonist activity at human GABRA1 in an in vitro cell-based assay measured by fluor...
来源:ChEMBL
靶标:Gamma-aminobutyric acid receptor subunit gamma-2
External Id:CHEMBL5291797
实验名称:Binding affinity towards human ESR1 in an in vitro cell free assay (NIBR assay) measu...
来源:ChEMBL
靶标:Estrogen receptor
External Id:CHEMBL5291791
实验名称:Binding affinity towards human EDNRA in an in vitro assay with cellular components me...
来源:ChEMBL
靶标:Endothelin-1 receptor
External Id:CHEMBL5291785
实验名称:Binding affinity towards human DRD2 in an in vitro assay with cellular components mea...
来源:ChEMBL
靶标:D(2) dopamine receptor
External Id:CHEMBL5291781
实验名称:Antagonist activity at human DRD1 in an in vitro cell-based assay measured by time-re...
来源:ChEMBL
靶标:D(1A) dopamine receptor
External Id:CHEMBL5291778
实验名称:Agonist activity at human DRD1 in an in vitro cell-based assay measured by time-resol...
来源:ChEMBL
靶标:D(1A) dopamine receptor
External Id:CHEMBL5291777
实验名称:Agonist activity at human CNR1 in an in vitro cell-based assay measured by fluorescen...
来源:ChEMBL
靶标:Cannabinoid receptor 1
External Id:CHEMBL5291771
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 英文别名

Nabilonum
DEA No. 7379
Nabilona
Nabilone
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