Gancaonin B
기본 정보
- CAS
124596-86-7- 표준 SMILES
COc1ccc(-c2coc3cc(O)c(CC=C(C)C)c(O)c3c2=O)cc1O- InChIKey
YQEPOQVRUDADPH-UHFFFAOYSA-N- 분자식
- C21H20O6
- 평균 분자량
- 368.4 g/mol
- 단동위원소 질량
- 368.12598835
개요
Gancaonin B is a member of isoflavanones.
이름 및 식별자
- 우선 이름
- Gancaonin B
- IUPAC
- 5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-(3-methylbut-2-enyl)chromen-4-one
이름 및 동의어
Gancaonin B124596-86-7DTXSID601544375,7-Dihydroxy-3-(3-hydroxy-4-methoxy-phenyl)-6-(3-methyl-but-2-enyl)-1-benzopyran-4-one5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-(3-methylbut-2-enyl)chromen-4-oneRefChem:142378DTXCID40769285,7,3'-Trihydroxy-4'-methoxy-6-prenylisoflavone5,7-Dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-(3-methylbut-2-en-1-yl)-4H-chromen-4-one3L57FWA9B5SCHEMBL1170939CHEBI:175730
이름 더 보기
LMPK120502623',5,7-Trihydroxy-4'-methoxy-6-prenylisoflavone3-(4-Methoxy-3-oxidanyl-phenyl)-6-(3-methylbut-2-enyl)-5,7-(bix(oxidanyl)chromen--4one5,7-dihydroxy-3-(3-hydroxy-4-methoxy-phenyl)-6-(3-methylbut-2-enyl)chromen-4-one4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-(3-methyl-2-buten-1-yl)-5,7-Dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one5,7-Dihydroxy-3-(3-hydroxy-4-methoxyphenyl)-6-(3-methylbut-2-en-1-yl)-4H-1-benzopyran-4-one
데이터베이스 식별자
- CAS
124596-86-7- PubChem CID
- 5317479
- DTXSID
DTXSID60154437- ChEBI
CHEBI:175730- UNII
- 3L57FWA9B5
- Nikkaji
- J589.981H
물성
구조 계산 물성
- XLogP
- 4.6
- 극성 표면적
- 96.2 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 608
실험 및 물리화학적 성질
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Isoflavonoids [PK1205]
Melting Point206 - 209 °C
Physical DescriptionSolid
화학 및 산업
약리 정보
Cellular LocationsMembrane
관련 반응
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