기본 정보
- CAS
144337-18-8- 표준 SMILES
CCCCCCCCCCCC(=O)c1c(O)c(C(=O)CCCCCCCCCCC)c(O)c(C2CC(c3ccc(O)cc3)Oc3cc(O)ccc32)c1O- InChIKey
CEJAYJCUSZHYDS-UHFFFAOYSA-N- 분자식
- C45H62O8
- 평균 분자량
- 731 g/mol
- 단동위원소 질량
- 730.44446893
개요
inhibits group II phospholipase A2; structure given in first source
이름 및 식별자
- 우선 이름
- YM 26734
- IUPAC
- 1-[3-dodecanoyl-2,4,6-trihydroxy-5-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]dodecan-1-one
- 영어명
- YM 26734
- 분자식
- C45H62O8
- 분자량
- 730.97
이름 및 동의어
144337-18-8YM-26734YM 26734D27Z1V25BZ1-Dodecanone, 1,1'-[5-[3,4-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-2H-1-benzopyran-4-yl]-2,4,6-trihydroxy-1,3-phenylene]bis-1-Dodecanone, 1,1'-(5-(3,4-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-2H-1-benzopyran-4-yl)-2,4,6-trihydroxy-1,3-phenylene)bis-RefChem:1956734-(3,5-Didodecanoyl-2,4,6-trihydroxyphenyl)-7-hydroxy-2-(4-hydroxyphenyl)chromanCHEMBL4444501-[3-dodecanoyl-2,4,6-trihydroxy-5-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]dodecan-1-one1,1'-[5-[3,4-Dihydro-7-hydroxy-2-(4-hydroxyphenyl)-2H-1-benzopyran-4-yl]-2,4,6-trihydroxy-1,3-phenylene]bis-1-dodecanoneC45H62O8
이름 더 보기
1-{3-dodecanoyl-2,4,6-trihydroxy-5-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]phenyl}dodecan-1-one
YM26734UNII-D27Z1V25BZ1,1'-(5-(3,4-DIHYDRO-7-HYDROXY-2-(4-HYDROXYPHENYL)-2H-1-BENZOPYRAN-4-YL)-2,4,6-TRIHYDROXY-1,3-PHENYLENE)BIS(1-DODECANONE)1,1'-[5-[3,4-Dihydro-7-hydroxy-2-(4-hydroxyphenyl)-2H-1-benzopyran-4-yl]-2,4,6-trihydroxy-1,3-phenylene]bis[1-dodecanone]MFCD00918068orb1703904SCHEMBL25736021SCHEMBL29422546
데이터베이스 식별자
- CAS
144337-18-8- PubChem CID
- 9853400
- DTXSID
DTXSID20932293- ChEMBL
CHEMBL444450- UNII
- D27Z1V25BZ
- Nikkaji
- J557.085I
물성
구조 계산 물성
- XLogP
- 14.3
- 극성 표면적
- 145 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 24
- 무거운 원자 수
- 53
- 형식 전하
- 0
- 복잡도
- 980
물리화학적 성질
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 100 mM · Soluble to 100 mM in DMSO and to 100 mM in ethanol
- 물리적 상태
- 가루
- 색상
- white to beige
- InChIKey
- CEJAYJCUSZHYDS-UHFFFAOYSA-N
- SMILES
- OC1=C(C2CC(C3=CC=C(O)C=C3)OC4=C2C=CC(O)=C4)C(O)=C(C(CCCCCCCCCCC)=O)C(O)=C1C(CCCCCCCCCCC)=O
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- WGK 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도YM-26734 is a derivative of a compound isolated from the fruit of H. amygdaline that competitively inhibits rabbit platelet sPLA2 which is a diverse family of low molecular weight PLA2s with tissue-specific expression patterns and actions.
공급사38 곳
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