Butyrolactone Ii
기본 정보
- CAS
87414-44-6- 표준 SMILES
COC(=O)[C@]1(Cc2ccc(O)cc2)OC(=O)C(O)=C1c1ccc(O)cc1- InChIKey
AEKPZNDJHWFONI-LJQANCHMSA-N- 분자식
- C19H16O7
- 평균 분자량
- 356.3 g/mol
- 단동위원소 질량
- 356.08960285
개요
Methyl (2r)-3-(4-Hydroxyphenyl)-2-[(4-Hydroxyphenyl)methyl]-4-Oxidanyl-5-Oxidanylidene-Furan-2-Carboxylate has been reported in Glycine max, Aspergillus, and Aspergillus terreus with data available.
이름 및 식별자
- 우선 이름
- Butyrolactone Ii
- IUPAC
- methyl (2R)-4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxofuran-2-carboxylate
- 영어명
- 2-(4-Hydroxybenzyl)-3-(4-hydroxyphenyl)-4-hydroxy-5-oxo-2,5-dihydrofuran-2-carboxylic acid methyl ester
- 분자식
- C19H16O7
- 분자량
- 356.33
이름 및 동의어
Butyrolactone II87414-44-6DTXSID301017691methyl (2R)-4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxofuran-2-carboxylatemethyl (2R)-4-hydroxy-3-(4-hydroxyphenyl)-2-((4-hydroxyphenyl)methyl)-5-oxofuran-2-carboxylateRefChem:1080503DTXCID701475875methyl 4-hydroxy-3-(4-hydroxyphenyl)-2-((4-hydroxyphenyl)methyl)-5-oxofuran-2-carboxylate(4R)-Butyrolactone ICHEMBL3753562Methyl (2R)-4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxo-furan-2-carboxylateMethyl (2~{r})-3-(4-Hydroxyphenyl)-2-[(4-Hydroxyphenyl)methyl]-4-Oxidanyl-5-Oxidanylidene-Furan-2-Carboxylate
이름 더 보기
2,5-Dihydro-4-hydroxy-2-(4-hydroxybenzyl)-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylic acid methyl ester2,5-Dihydro-2-(4-hydroxybenzyl)-3-(4-hydroxyphenyl)-4-hydroxy-5-oxo-2-furancarboxylic acid methyl ester2-(4-Hydroxybenzyl)-3-(4-hydroxyphenyl)-4-hydroxy-5-oxo-2,5-dihydrofuran-2-carboxylic acid methyl ester2-Furancarboxylic acid, 2,5-dihydro-4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxo-, methyl ester, (2R)-
XBUorb1992535BDBM50453561MFCD09752715AKOS040734181methyl (2R)-4-hydroxy-3-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-5-oxo-2,5-dihydrofuran-2-carboxylateHY-111238CS-0034725
데이터베이스 식별자
- CAS
87414-44-6- PubChem CID
- 10405953
- DTXSID
DTXSID301017691- ChEMBL
CHEMBL3753562- Nikkaji
- J3.646.196I
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 113 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 583
물리화학적 성질
- 녹는점
- 91 · 91-94 °C
- 끓는 점
- 640.5 · 640.5±55.0 °C(Predicted)
- 밀도
- 1.497 · 1.497±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- DMSO에 용해됨
- 물리적 상태
- 무정형.
- 산도 계수 (pKa)
- 8.61 · 8.61±0.40(Predicted)
- 색상
- 흰색에서 황백색까지
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- HS 번호
- 29419000
화학 및 산업
응용 분야
개요Butyrolactone II is a butenolide fungal metabolite that has been found in A. terreus. It scavenges 2,2-diphenyl-1-picrylhydrazyl (DPPH; ) and ABTS free radicals (EC50s = 11.5 and 68.5 μM, respectively). It inhibits 5-lipoxygenase (5-LO; IC50 = 21.43 μg/ml) and α-glucosidase (IC50 = 0.126 mM).
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…