5,7-Dihydroxy-3,3',4',5'-tetramethoxyflavone
기본 정보
- CAS
14585-04-7- 표준 SMILES
COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC)cc(OC)c1OC- InChIKey
YSXLGTWJLNLXKQ-UHFFFAOYSA-N- 분자식
- C19H18O8
- 평균 분자량
- 374.3 g/mol
- 단동위원소 질량
- 374.10016753
개요
3,3',4',5'-tetramethylmyricetin is a tetramethoxyflavone that is myricetin in which the hydroxy groups at positions 3, 3', 4' and 5' are replaced by methoxy groups. It is isolated from Bridelia ferruginea, a subtropical medicinal plant widely used in traditional African medicine. It has a role as a plant metabolite. It is a member of 3'-methoxyflavones, a dihydroxyflavone and a tetramethoxyflavone. It is functionally related to a myricetin.
이름 및 식별자
- 우선 이름
- 5,7-Dihydroxy-3,3',4',5'-tetramethoxyflavone
- IUPAC
- 5,7-dihydroxy-3-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
- 영어명
- 5,7-Dihydroxy-3,3',4',5'-tetramethoxyflavone
- 분자식
- C19H18O8
- 분자량
- 374.34
이름 및 동의어
5,7-Dihydroxy-3,3',4',5'-tetramethoxyflavoneMyricetin methyletherN5KFY8NTR4Myricetin 3,3',4',5'-tetramethyl ether5,7-dihydroxy-3-methoxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-methoxy-2-(3,4,5-trimethoxyphenyl)-5,7-dihydroxy-3-methoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one5,7-dihydroxy-3-methoxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one3,3',4',5'-tetramethylmyricetinFlavone, 5,7-dihydroxy-3,3',4',5'-tetramethoxy-CHEBI:146139DTXSID00465276
이름 더 보기
3,3',4',5'-tetra-o-methylmyricetinRefChem:101350DTXCID9041609514585-04-7UNII-N5KFY8NTR44H-1-Benzopyran-4-one,5,7-dihydroxy-3-methoxy-2-(3,4,5-trimethoxyphenyl)-AR-683/41530204CHEMBL189626
데이터베이스 식별자
- CAS
14585-04-7- PubChem CID
- 11417464
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 104 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 562
실험 및 물리화학적 성질
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
물리화학적 성질
- 끓는 점
- 594.2 · 594.2±50.0 °C(Predicted)
- 밀도
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 6.29 · 6.29±0.40(Predicted)
관련 반응
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