기본 정보
- CAS
130926-71-5- 표준 SMILES
COc1c(O)cc2c(c1O)C(=O)[C@H](OC(C)=O)[C@@H](c1ccc(O)cc1)O2- InChIKey
SZKFMAOEZUMSRT-AEFFLSMTSA-N- 분자식
- C18H16O8
- 평균 분자량
- 360.3 g/mol
- 단동위원소 질량
- 360.08451746
개요
6-methoxyaromadendrin 3-O-acetate is a trihydroxyflavanone that is aromadendrin 3-O-acetate substituted by a methoxy group at position 6. It is a member of 4'-hydroxyflavanones, a monomethoxyflavanone, a trihydroxyflavanone and an acetate ester. It is functionally related to a (+)-dihydrokaempferol.
이름 및 식별자
- 우선 이름
- 4H-1-Benzopyran-4-one, 3-(acetyloxy)-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-, (2R-trans)-
- IUPAC
- [(2R,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxo-2,3-dihydrochromen-3-yl] acetate
- 영어명
- 4H-1-Benzopyran-4-one,3-(acetyloxy)-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-,(2R-trans)- (9CI)
- 분자식
- C18H16O8
- 분자량
- 360.31484
이름 및 동의어
6-Methoxyaromadendrin 3-O-acetate130926-71-5CHEBI:2210DTXSID80331824[(2R,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxo-2,3-dihydrochromen-3-yl] acetate((2R,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxo-2,3-dihydrochromen-3-yl) acetateRefChem:935823DTXCID302829184H-1-Benzopyran-4-one, 3-(acetyloxy)-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-, (2R-trans)-(2R,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl acetateC09764SCHEMBL20450267
이름 더 보기
4H-1-Benzopyran-4-one,3-(acetyloxy)-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-methoxy-,(2R-trans)- (9CI)
3,5,7,4'-Tetrahydroxy-6-methoxyflavanone 3-acetateQ27105582
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 123 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 529
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