Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
2-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-[(E)-3-[2-(4-hydroxyphenyl)ethylamino]-3-oxoprop-1-enyl]-7-methoxy-2,3-dihydro-1-benzofuran-3-carboxamide
NSC 359837 · GrossaMide · (2S,3S)-2-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-[(E)-3-[2-(4-hydroxyphenyl)ethylamino]-3-oxoprop-1-enyl]-7-methoxy-2,3-dihydro-1-benzofuran-3-carboxamide · 3-Benzofurancarboxamide, 2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-N-(2-(4-hydroxyphenyl)ethyl)-5-((1E)-3-((2-(4-hydroxyphenyl)ethyl)amino)-3-oxo-1-propenyl)-7-methoxy-, (2R,3R)-rel- · 3-Benzofurancarboxamide, 2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-[(1E)-3-[[2-(4-hydroxyphenyl)ethyl]amino]-3-oxo-1-propen-1-yl]-7-methoxy-, (2R,3R)-rel-
![2-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-5-[(E)-3-[2-(4-hydroxyphenyl)ethylamino]-3-oxoprop-1-enyl]-7-methoxy-2,3-dihydro-1-benzofuran-3-carboxamide 분자 구조식](/img/chemical/5322012.png)
식별자 및 물리적 특성
| CAS No. | 80510-06-1 |
|---|---|
| 분자식 | C36H36N2O8 |
| 평균 분자량 | 624.7 g/mol |
| 단동위원소 질량 | 624.24716611 g/mol |
| SMILES | COc1cc(C2Oc3c(OC)cc(/C=C/C(=O)NCCc4ccc(O)cc4)cc3C2C(=O)NCCc2ccc(O)cc2)ccc1O |
| InChIKey | DROXVBRNXCRUHP-VGOFMYFVSA-N |
| PubChem CID | 5322012 |
화학 및 물리적 성질
| XLogP | 4.9 |
|---|---|
| 극성 표면적 | 147 |
| 수소 결합 공여자 수 | 5 |
| 수소 결합 수용자 수 | 8 |
| 회전 가능 결합 수 | 12 |
| 무거운 원자 수 | 46 |
| 형식 전하 | 0 |
| 복잡도 | 994 |
| 녹는점 | 174 - 175 °C |
| Physical Description | Solid |
| 끓는 점 | 934.8±65.0 °C(Predicted) |
| 밀도 | 1.315±0.06 g/cm3(Predicted) |
| 용해도 | Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc. |
| 물리적 상태 | 가루 |
| pKa(산도 계수) | 9.78±0.35(Predicted) |
용도
용도
Grossamide is an anti-inflammatory agent found in hemp seed. Grossamide is a potential therapeutic candidate for inhibiting neuroinflammation in neurodegenerative diseases.