기본 정보
- CAS
142474-52-0- 표준 SMILES
CC(C)=CCc1cc(-c2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2O)ccc1O- InChIKey
XHCCZOWAHHBCAK-UHFFFAOYSA-N- 분자식
- C25H26O6
- 평균 분자량
- 422.5 g/mol
- 단동위원소 질량
- 422.17293854
개요
Glyasperin A has been reported in Glycyrrhiza aspera, Glycyrrhiza glabra, and Glycyrrhiza inflata with data available.
이름 및 식별자
- 우선 이름
- Glyasperin A
- IUPAC
- 3,5,7-trihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6-(3-methylbut-2-enyl)chromen-4-one
- 영어명
- GLYASPERINA
- 분자식
- C25H26O6
- 분자량
- 422.47
이름 및 동의어
Glyasperin A3,5,7-trihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6-(3-methylbut-2-enyl)chromen-4-oneDTXSID801620543,5,7-Trihydroxy-2-(4-hydroxy-3-(3-methyl-but-2-enyl)-phenyl)-6-((Z)-3-methyl-but-2-enyl)-1-benzopyran-4-one3,5,7-trihydroxy-2-(4-hydroxy-3-(3-methylbut-2-enyl)phenyl)-6-(3-methylbut-2-enyl)chromen-4-one3,5,7-Trihydroxy-2-[4-hydroxy-3-(3-methyl-but-2-enyl)-phenyl]-6-((Z)-3-methyl-but-2-enyl)-1-benzopyran-4-oneRefChem:143762DTXCID2084545142474-52-0GlyasperinA3,5,7-Trihydroxy-2-(4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl)-6-(3-methylbut-2-en-1-yl)-4H-chromen-4-one4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-[4-hydroxy-3-(3-methyl-2-butenyl)phenyl]-6-(3-methyl-2-butenyl)-
이름 더 보기
4H-1-Benzopyran-4-one,3,5,7-trihydroxy-2-[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-6-(3-methyl-2-buten-1-yl)-
orb1682485CHEMBL4643448SCHEMBL24075660SCHEMBL29833229HY-N3956SFA47452LMPK12111985TN4147
물성
구조 계산 물성
- XLogP
- 5.7
- 극성 표면적
- 107 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 758
실험 및 물리화학적 성질
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
물리화학적 성질
- 끓는 점
- 643 · 643.0±55.0 °C(Predicted)
- 밀도
- 1.315 · 1.315±0.06 g/cm3(Predicted)
- 용해도
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 6.84 · 6.84±0.40(Predicted)
- 색상
- 노란색
화학 및 산업
공급사29 곳
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