기본 정보
- CAS
36506-69-1- 표준 SMILES
COc1cc2c(cc1OC)[C@H](Cc1ccc(Oc3cc4c(cc3O)-c3c(O)c(OC)cc5c3[C@@H](C4)N(C)CC5)cc1)N(C)CC2- InChIKey
PJBCPYBIOOFQBE-URLMMPGGSA-N- 분자식
- C37H40N2O6
- 평균 분자량
- 608.7 g/mol
- 단동위원소 질량
- 608.288637
개요
Pakistanine has been reported in Berberis calliobotrys, Berberis orthobotrys, and other organisms with data available.
이름 및 식별자
- 우선 이름
- Pakistanine
- IUPAC
- (6aR)-9-[4-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,10-diol
이름 및 동의어
Pakistanine36506-69-1DTXSID701900084H-Dibenzo(de,g)quinoline-1,10-diol, 5,6,6a,7-tetrahydro-2-methoxy-6-methyl-9-(4-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)-, (R-(R*,S*))-(6aR)-9-[4-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,10-diol(6aR)-9-(4-(((1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl)phenoxy)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo(de,g)quinoline-1,10-diolRefChem:169599DTXCID40112499(6ar)-9-(4-{[(1s)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}phenoxy)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4h-dibenzo[de,g]quinoline-1,10-diolSCHEMBL30637346
데이터베이스 식별자
- CAS
36506-69-1- PubChem CID
- 193239
- DTXSID
DTXSID70190008- Nikkaji
- J2.407.565F
물성
구조 계산 물성
- XLogP
- 6.1
- 극성 표면적
- 83.9 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 45
- 형식 전하
- 0
- 복잡도
- 979
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…