莪术醇
中文名称 | 莪术醇 |
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中文同义词 | 姜黄醇;莪术醇;CURCUMOL 莪术醇;莪术醇(标准品);(3S,3AS,5S,6R,8AS)-八氢-3-甲基-8-亚甲基-5-(1-甲基乙基)-6H-3A,6-环氧薁-6-醇;姜黄醇(对照品);标准品对照品】CURCUMOL;莪术醇对照品 |
英文名称 | Curcumol |
英文同义词 | 6H-3a,6-Epoxyazulen-6-ol, octahydro-3-methyl-8-methylene-5-(1-methylethyl)-, (3S,3aS,5S,6R,8aS)-;(3S,3aS,5S,6R,8aS)-Octahydro-3-methyl-8-methylene-5-(1-methylethyl)-6H-3a,6-epoxyazulen-6-ol;CURCUMOL;(3s-(3a,3aa,5a,6a,8ab))-octahydro-3-methyl-8-methylene-5-(1-methylethyl)-6h-3a,6-epoxyazulen-6-ol;5,8-Epoxy-10(14)-guaien-8-ol;(3S-(3alpha,3Aalpha,5alpha,6alpha,8abeta))-octahydro-3-methyl-8-methylene-5-(1-methylethyl)-6H-3A,6-epoxyazulen-6-ol;Curcumae;Curcumol USP/EP/BP |
CAS号 | 4871-97-0 |
分子式 | C15H24O2 |
分子量 | 236.35 |
EINECS号 | |
相关类别 | 小分子抑制剂,天然产物;中药对照品;中药标准品;对照品;植提标准品;小分子抑制剂;标准品;对照品,标准品;分析标准品;植物提取物;Miscellaneous Natural Products;chemical reagent;pharmaceutical intermediate;phytochemical;reference standards from Chinese medicinal herbs (TCM).;standardized herbal extract;Inhibitors;植物成分单体;分析试剂标准品;天然全草精油;标准品-对照品;标准品-中药标准品;标准品 -中药标准品;倍半萜;分析试剂-对照品;化工原料;色谱纯-天然产物 |
Mol文件 | 4871-97-0.mol |
结构式 |
莪术醇 性质
熔点 | 141.0 to 145.0 °C |
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沸点 | 334.5±42.0 °C(Predicted) |
密度 | 1.06±0.1 g/cm3(Predicted) |
储存条件 | under inert gas (nitrogen or Argon) at 2–8 °C |
溶解度 | DMSO:55.67(最大浓度 mg/mL);235.54(最大浓度 mM) DMF:20.0(最大浓度 mg/mL);84.62(最大浓度 mM) 乙醇:28.5(最大浓度 mg/mL);120.58(最大浓度 mM) |
酸度系数(pKa) | 13.02±0.60(Predicted) |
形态 | 固体 |
颜色 | 白色至浅黄色至浅橙色 |
InChI | InChI=1S/C15H24O2/c1-9(2)13-8-14-11(4)5-6-12(14)10(3)7-15(13,16)17-14/h9,11-13,16H,3,5-8H2,1-2,4H3/t11-,12-,13-,14-,15+/m0/s1 |
InChIKey | QRMPRVXWPCLVNI-YYFQZIEXSA-N |
SMILES | C1[C@]2([H])[C@@]3(O[C@](O)(CC2=C)[C@H](C(C)C)C3)[C@@H](C)C1 |
LogP | 3.276 (est) |
CAS 数据库 | 4871-97-0 |
Curcumol ((-)-Curcumol) is the major component extracted from root of
Rhizoma Curcumae
. Curcumol exerts anticancer effect in cholangiocarcinoma cells via down-regulating CDKL3
.
Curcumol induces cell cycle arrest in colon cancer cells via reactive oxygen species and Akt/ GSK3β/cyclin D1 pathway
.
Curcumol suppresses breast cancer cell metastasis by inhibiting MMP-9 via JNK1/2 and Akt-dependent NF-κB signaling pathways.
药理药效:具有抗肿瘤作用。临床对宫颈癌疗效较好。
安全信息
WGK Germany | 3 |
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海关编码 | 29321900 |