Andrographolide 穿心莲内酯
CAS 5508-58-7 MFCD07778082
化学结构图
SMILES: C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C1/C(=O)OC[C@H]1O
化学属性
| Mol. Formula | C20H30O5 |
|---|---|
| Mol. Weight | 350 |
| Melting Point | 229-233 |
| Density | 1.21 |
别名和识别编码
| Chemical Name | Andrographolide |
|---|---|
| CAS Number | 5508-58-7 |
| Alfabeta Name | ANDROGRAPHOLIDE |
| MDL Number | MFCD07778082 |
| Synonym | 穿心莲内酯 Andrographolide (3E,4S)-3-[2-[(1R,4aS,5R,6R,8aS)-Decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethylidene]dihydro-4-hydroxy-2(3H)-furanone ent-(3β,12E,14R)-3,14,19-Trihydroxy-8(17),12-labdadien-16,15-olide Andrographis Andrographis ent-(3β,12E,14R)-3,14,19-Trihydroxy-8(17),12-labdadien-16,15-olide ######## (3E,4S)-3-[2-[(1R,4aS,5R,6R,8aS)-Decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethylidene]dihydro-4-hydroxy-2(3H)-furanone 穿心莲 |
| EC Number | 226-852-5 |
| Beilstein Registry Number | 5609598 |
| PubChem Substance ID | 5318517 |
| Chemical Name Translation | 穿心莲内酯 |
| Reaxys-RN | 5609598 |
| Merck Number | 633 |
| InChI | InChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5+/t14-,15-,16+,17-,19+,20+/m1/s1 |
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分类
- A - D, Alphabetical, Analytical Standards, Analytical/Chromatography, Andrographis, Chromatography, Isoprenoids, Life Sciences Standards, Phytopharma Standards, Standards by Plant Genus, Substance Classification
- {SNA} A - D, Alphabetical, Analytical Standards, Andrographis, Isoprenoids, Phytochemical Standards, Standards by Plant Genus, Substance Classification, 分析/色谱
- {SNA} A - D, Alphabetical Index of Phytochemical Standards, Analytical Standards,
- {SNA} Asymmetric Synthesis, Chemical Synthesis, Chiral Building Blocks, Complex Molecules
产品应用
- 植物抗菌制剂。具有抗炎特性的二萜内酯。它阻止T细胞对异体刺激带来的增殖和巨噬细胞趋化补体迁移。阻止几种癌症细胞在体外的增殖。异体刺激
相关文献及参考
- Merck: 14,633
- Merck: 14,633 Beilstein: 18,IV,2357
- Chander, R. et al.: Int. J. Pharmacog., 33, 135 (1995); Chen, H.-W. et al.: J. Nat. Prod., 74, 2408 (2011); J. Agric. Food Chem., 59, 5263 (2011);
安全信息
- S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
GHS Symbol
- P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 11460 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : IJMRAQ Indian Journal of Medical Research. (Indian Council of Medical Research, Ansari Nagar, New Delhi 110 029, India) V.1- 1913- Volume(issue)/page/year: 92,276,1990
