기본 정보
- CAS
76754-24-0- 표준 SMILES
CC(C)=CCc1cc(-c2coc3cc(O)c(CC=C(C)C)c(O)c3c2=O)ccc1O- InChIKey
HTAZIHDXIUPDQP-UHFFFAOYSA-N- 분자식
- C25H26O5
- 평균 분자량
- 406.5 g/mol
- 단동위원소 질량
- 406.17802393
개요
Lupalbigenin is a member of isoflavanones.
이름 및 식별자
- 우선 이름
- Lupalbigenin
- IUPAC
- 5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6-(3-methylbut-2-enyl)chromen-4-one
- 영어명
- 3',6-Di(dimethylallyl)genistein
- 분자식
- C25H26O5
- 분자량
- 406.47
이름 및 동의어
lupalbigenin76754-24-05,7,4'-Trihydroxy-6,3'-diprenylisoflavone0RZW2IS86C5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6-(3-methylbut-2-enyl)chromen-4-one4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl)-6-(3-methyl-2-buten-1-yl)-3'-(gamma,gamma-Dimethylallyl)wighteone5,7-dihydroxy-3-(4-hydroxy-3-(3-methylbut-2-enyl)phenyl)-6-(3-methylbut-2-enyl)chromen-4-oneRefChem:1543223',6-Di(dimethylallyl)genistein6,3'-DiprenylgenisteinUNII-0RZW2IS86C
이름 더 보기
6-Di(dimethylallyl)genistein3'-γ,γ-Dimethylallylwighteone5,7-Dihydroxy-3-[4-hydroxy-3-(3-methyl-2-butenyl)phenyl]-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-[4-hydroxy-3-(3-methyl-2-buten-1-yl)phenyl]-6-(3-methyl-2-buten-1-yl)-
3'-(.GAMMA.,.GAMMA.-DIMETHYLALLYL)WIGHTEONECHEMBL463936orb1684441SCHEMBL5614134SCHEMBL29657056CHEBI:188898GLXC-18537HY-N3360
데이터베이스 식별자
- CAS
76754-24-0- PubChem CID
- 10001388
- ChEMBL
CHEMBL463936- ChEBI
CHEBI:188898- UNII
- 0RZW2IS86C
- Nikkaji
- J138.386H
물성
구조 계산 물성
- XLogP
- 6.5
- 극성 표면적
- 87 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 713
실험 및 물리화학적 성질
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Isoflavonoids [PK1205]
물리화학적 성질
- 녹는점
- 165 °C · 165 °C(Solv: toluene (108-88-3); ethyl acetate (141-78-6))
- 끓는 점
- 623.6 · 623.6±55.0 °C(Predicted)
- 밀도
- 1.246 · 1.246±0.06 g/cm3(Predicted)
- 용해도
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 6.94 · 6.94±0.20(Predicted)
- 색상
- 노란색
화학 및 산업
공급사24 곳
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