기본 정보
- CAS
191539-54-5- 표준 SMILES
COc1cc(O)c(-c2cc(-c3cc(-c4c(O)cc(O)c5c4C[C@@H](C)N[C@@H]5C)c4cc(C)cc(OC)c4c3O)c(O)c3c(OC)cc(C)cc23)c2c1C(C)=N[C@H](C)C2- InChIKey
VSDWMCJBOALEDE-WXFUMESZSA-N- 분자식
- C47H48N2O8
- 평균 분자량
- 768.9 g/mol
- 단동위원소 질량
- 768.34106649
개요
Michellamine F has been reported in Ancistrocladus korupensis with data available.
이름 및 식별자
- 우선 이름
- Michellamine F
- IUPAC
- (1R,3R)-5-[4-hydroxy-3-[1-hydroxy-4-[(3R)-6-hydroxy-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-5-yl]-8-methoxy-6-methylnaphthalen-2-yl]-5-methoxy-7-methylnaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol
이름 및 동의어
Michellamine F(1R,3R)-5-[4-hydroxy-3-[1-hydroxy-4-[(3R)-6-hydroxy-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-5-yl]-8-methoxy-6-methylnaphthalen-2-yl]-5-methoxy-7-methylnaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol(1R,3R)-5-(4-hydroxy-3-(1-hydroxy-4-((3R)-6-hydroxy-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-5-yl)-8-methoxy-6-methylnaphthalen-2-yl)-5-methoxy-7-methylnaphthalen-1-yl)-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diolRefChem:925846191539-54-55,5'-(1,1'-Dihydroxy-8-8'-dimethoxy-6,6'-dimethyl(2,2'-binaphthalene)-4,4'-diyl)(3,4-dihydro-8-methoxy-1,3-dimethyl-6-isoquinolinol),(1,2,3,4-tetrahydro-1,3-dimethyl-6,8-isoquinolinediol),(3R,5R,1'R,3'R,5'S)5,5'-(1,1'-Dihydroxy-8-8'-dimethoxy-6,6'-dimethyl[2,2'-binaphthalene]-4,4'-diyl)[3,4-dihydro-8-methoxy-1,3-dimethyl-6-isoquinolinol],[1,2,3,4-tetrahydro-1,3-dimethyl-6,8-isoquinolinediol],(3R,5R,1'R,3'R,5'S)CHEMBL501944SCHEMBL29456988NSC692906NSC-692906(1R,3R)-5-[4-hydroxy-3-[1-hydroxy-4-[(3R)-6-hydroxy-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-5-yl]-8-methoxy-6-methyl-2-naphthyl]-5-methoxy-7-methyl-1-naphthyl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol
데이터베이스 식별자
- CAS
191539-54-5- PubChem CID
- 392428
- ChEMBL
CHEMBL501944- Nikkaji
- J879.168F
물성
구조 계산 물성
- XLogP
- 8.5
- 극성 표면적
- 153 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 57
- 형식 전하
- 0
- 복잡도
- 1,420
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