기본 정보
- CAS
2831-75-6- 표준 SMILES
COc1cc2c(cc1O)CCN(C)[C@@H]2Cc1ccc(Oc2cc(C[C@@H]3c4cc(OC)c(OC)cc4CCN3C)ccc2O)cc1- InChIKey
APIHNXDZCYDPTF-FIRIVFDPSA-N- 분자식
- C37H42N2O6
- 평균 분자량
- 610.7 g/mol
- 단동위원소 질량
- 610.30428706
개요
(1R)-1-{[4-(5-{[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl}-2-hydroxyphenoxy)phenyl]methyl}-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol has been reported in Menispermum canadense and Menispermum dauricum with data available.
이름 및 식별자
- 우선 이름
- Daurinoline
- IUPAC
- (1R)-1-[[4-[5-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-hydroxyphenoxy]phenyl]methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol
- 영어명
- Daurinoline
- 분자식
- C37H42N2O6
- 분자량
- 610.74
이름 및 동의어
Daurinoline2831-75-6(1R)-1-[[4-[5-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-hydroxyphenoxy]phenyl]methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol(1R)-1-((4-(5-(((1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl)-2-hydroxyphenoxy)phenyl)methyl)-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol(1R)-1-{[4-(5-{[(1R)-6,7-DIMETHOXY-2-METHYL-3,4-DIHYDRO-1H-ISOQUINOLIN-1-YL]METHYL}-2-HYDROXYPHENOXY)PHENYL]METHYL}-7-METHOXY-2-METHYL-3,4-DIHYDRO-1H-ISOQUINOLIN-6-OLRefChem:131015orb1698440SCHEMBL29411700CAA83175HY-N2104AKOS030573557FS-7069
이름 더 보기
Daurinoline B(1R)-1-[4-(5-{[(1R)-6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-i soquinolinyl]methyl}-2-hydroxyphenoxy)benzyl]-7-methoxy-2-methyl- 1,2,3,4-tetrahydro-6-isoquinolinol(1R)-1,2,3,4-Tetrahydro-1-[[4-[2-hydroxy-5-[[(1R)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl]methyl]phenoxy]phenyl]methyl]-7-methoxy-2-methyl-6-isoquinolinol6-Isoquinolinol, 1,2,3,4-tetrahydro-1-[[4-[2-hydroxy-5-[[(1R)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl]methyl]phenoxy]phenyl]methyl]-7-methoxy-2-methyl-, (1R)-
물성
구조 계산 물성
- XLogP
- 6.4
- 극성 표면적
- 83.9 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 45
- 형식 전하
- 0
- 복잡도
- 917
물리화학적 성질
- 녹는점
- 100 · 100-103℃
- 밀도
- 1.218 · 1.218
화학 및 산업
응용 분야
용도Daurinoline is a natural alkaloid which displays anti-cancer activity. DNA G-quadruplex stabilizer which halts tumor cell proliferation.
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