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5-[3-[4-(6,8-Dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-1-hydroxy-8-methoxy-6-methylnaphthalen-2-yl]-4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol

HCID 4185
노트반응
기본 정보개요이름 및 식별자물성화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
137793-81-8
표준 SMILES
COc1cc(C)cc2c(-c3c(O)cc(O)c4c3CC(C)NC4C)cc(-c3cc(-c4c(O)cc(O)c5c4CC(C)NC5C)c4cc(C)cc(OC)c4c3O)c(O)c12
InChIKey
GMLBVLXDRNJFGR-UHFFFAOYSA-N
분자식
C46H48N2O8
평균 분자량
756.9 g/mol
단동위원소 질량
756.34106649

개요

Michellamine has been reported in Triphyophyllum peltatum, Ancistrocladus abbreviatus, and other organisms with data available.

이름 및 식별자

우선 이름
5-[3-[4-(6,8-Dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-1-hydroxy-8-methoxy-6-methylnaphthalen-2-yl]-4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol
IUPAC
5-[3-[4-(6,8-dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-1-hydroxy-8-methoxy-6-methylnaphthalen-2-yl]-4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol
영어명
5-[3-[4-(6,8-dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-1-hydroxy-8-methoxy-6-methyl-naphthalen-2-yl]-4-hydroxy-5-methoxy-7-methyl-naphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol
분자식
C46H48N2O8
분자량
0

이름 및 동의어

5-[3-[4-(6,8-dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-1-hydroxy-8-methoxy-6-methylnaphthalen-2-yl]-4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diolMichellamineNSC 6508986,8-Isoquinolinediol, 5,5'-(1,1'-dihydroxy-8,8'-dimethoxy-6,6'-dimethyl(2,2'-binaphthalene)-4,4'-diyl)bis(1,2,3,4-tetrahydro-1,3-dimethyl-, (1R,1'R,3R,3'R,5R,5'S)-SCHEMBL6361270(1R,3R,5P,1'''R,3'''R,5'''P)-Michellamine A(1R,3R,5S,1'''R,3'''R,5'''S)-Michellamine ASCHEMBL29399508DTXSID509298985-[3-[4-(6,8-dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-1-hydroxy-8-methoxy-6-methyl5,5'-(1,1'-Dihydroxy-8,8'-dimethoxy-6,6'-dimethyl[2,2'-binaphthalene]-4,4'-diyl)bis(1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol)5-[3-[4-(6,8-dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-1-hydroxy-8-methoxy-6-methyl-2-naphthyl]-4-hydroxy-5-methoxy-7-methyl-1-naphthyl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol
이름 더 보기
Michellamine b5-[3-[4-(6,8-dihydroxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-1-hydroxy-8-methoxy-6-methyl-naphthalen-2-yl]-4-hydroxy-5-methoxy-7-methyl-naphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol
6,8-Isoquinolinediol, 5,5'-(1,1'-dihydroxy-8,8'-dimethoxy-6,6'-dimethyl(2,2'-binaphthalene)-4,4'-diyl)bis(1,2,3,4-tetrahydro-1,3-dimethyl-, (1R,1'R,3R,3'R,5S,5'S)-6,8-Isoquinolinediol, 5,5'-(1,1'-dihydroxy-8,8'-dimethoxy-6,6'-dimethyl(2,2'-binaphthalene)-4,4'-diyl)bis(1,2,3,4-tetrahydro-1,3-dimethyl-, stereoisomer

데이터베이스 식별자

CAS
137793-81-8、137893-48-2、143168-23-4
PubChem CID
4185
DTXSID
DTXSID50929898
Nikkaji
J594.231D

물성

구조 계산 물성

XLogP
8.3
극성 표면적
164 Ų
수소 결합 공여자 수
8
수소 결합 수용자 수
10
회전 가능 결합 수
5
무거운 원자 수
56
형식 전하
0
복잡도
1,240

화학 및 산업

추가 설명

정의ChEBI: A dimeric isoquinoline alkaloid isolated from Ancistrocladus abbreviatus and has been shown to exhibit anti-HIV activity.

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