기본 정보
- CAS
4781-58-2- 표준 SMILES
COc1ccc(C[C@@H]2NCCc3cc(OC)c(O)cc32)cc1O- InChIKey
FVEMXQCEJGGXJB-AWEZNQCLSA-N- 분자식
- C18H21NO4
- 평균 분자량
- 315.4 g/mol
- 단동위원소 질량
- 315.14705815
개요
(S)-norreticuline is a norreticuline. It has a role as an EC 2.1.1.116 [3'-hydroxy-N-methyl-(S)-coclaurine 4'-O-methyltransferase] inhibitor. It is a conjugate base of a (S)-norreticuline(1+). It is an enantiomer of a (R)-norreticuline.
이름 및 식별자
- 우선 이름
- (S)-Norreticuline
- IUPAC
- (1S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol
- 현지명
- 레티큘린도
- 영어명
- Nor Reticuline
- 분자식
- C18H21NO4
- 분자량
- 315.36
이름 및 동의어
(S)-Norreticuline4781-58-2(-)-Norreticuline(1S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-olCHEBI:28611DTXSID50331558(1S)-1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol(1S)-1-((3-hydroxy-4-methoxyphenyl)methyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol11-((4-hydroxy-3-methoxy-phenyl)methyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol11-[(4-hydroxy-3-methoxy-phenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-olRefChem:70504DTXCID50282652
이름 더 보기
레티큘린도7-Isoquinolinol, 1,2,3,4-tetrahydro-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-, (1S)-
Nor Reticuline2-Demethylreticuline(-)-(S)-N-Norreticuline(1S)-1,2,3,4-tetrahydro-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-7-isoquinolinolS-NorreticulineCHEMBL349584orb1989858SCHEMBL17285807
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 71 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 380
물리화학적 성질
- 끓는 점
- 519.5 · 519.5±50.0 °C(Predicted)
- 밀도
- 1.234 · 1.234±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.95 · 9.95±0.10(Predicted)
화학 및 산업
응용 분야
용도Reticuline (R188500) analog. (S)-Norreticuline is the precursor for the biosynthesis of Erythrina alkaloids. (S)-Norreticuline and (S)-reticuline stimulated the proliferation of cultured cells from murine hair.
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하류 제품
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