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기본 정보
- CAS
81422-93-7- 표준 SMILES
CC(C)=CCC12Oc3cc(O)ccc3C1(O)Oc1cc(O)c(C3C=C(C)CC(c4ccc(O)cc4O)C3C(=O)c3ccc(O)cc3O)c(O)c1C2=O- InChIKey
SUOXGDJCEWTZIZ-UHFFFAOYSA-N- 분자식
- C40H36O12
- 평균 분자량
- 708.716 g/mol
- 단동위원소 질량
- 708.22067659
이름 및 식별자
- 우선 이름
- Sanggenon D
- IUPAC
- 2-[(1S,2R,3R)-2-(2,4-Dihydroxybenzoyl)-2',4'-dihydroxy-5-methyl-1,2,3,6-tetrahydro[1,1'-biphenyl]-3-yl]-1,3,8,10a-tetrahydroxy-5a-(3-methylbut-2-en-1-yl)-5a,10a-dihydro-11H-[1]benzofuro[3,2-b][1]benzopyran-11-one
- 영어명
- Sanggenone D
- 분자식
- C40H36O12
- 분자량
- 708.71
이름 및 동의어
2-[(1R,5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-1,3,8,10a-tetrahydroxy-5a-(3-methylbut-2-enyl)-[1]benzofuro[3,2-b]chromen-11-oneSanggenone DXL765) Analogue11H-Benzofuro[3,2-b][1]benzopyran-11-one, 2-[6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-5a,10a-dihydro-1,3,5a,8-tetrahydroxy-10a-(3-methyl-2-buten-1-yl)-11H-Benzofuro[3,2-b][1]benzopyran-11-one,2- [6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)- 3-methyl-2-cyclohexen-1-yl]-5a,- 10a-dihydro-1,3,5a,8-tetrahydroxy-10a-(3- methyl-2-butenyl)-2-(2-(2,4-Dihydroxybenzoyl)-2',4'-dihydroxy-5-methyl-1,2,3,6-tetrahydro-[1,1'-biphenyl]-3-yl)-1,3,5a,8-tetrahydroxy-10a-(3-methylbut-2-en-1-yl)-5a,10a-dihydro-11H-benzofuro[3,2-b]chromen-11-one
데이터베이스 식별자
- CAS
81422-93-7- PubChem CID
- 13824422
- DTXSID
DTXSID70331833
물성
물리화학적 성질
- 녹는점
- 175 · 175-185℃
- 끓는 점
- 999.3 · 999.3±65.0 °C(Predicted)
- 밀도
- 1.512 · 1.512±0.06 g/cm3 (20 ºC 760 Torr)
- 용해도
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 6.62 · 6.62±0.60(Predicted)
- 색상
- Light yellow to brown
- InChIKey
- SUOXGDJCEWTZIZ-UHFFFAOYSA-N
- SMILES
- C12(O)C3=CC=C(O)C=C3OC1(C/C=C(/C)\C)C(=O)C1=C(O)C(C3C(C(=O)C4=CC=C(O)C=C4O)C(C4=CC=C(O)C=C4O)CC(C)=C3)=C(O)C=C1O2
화학 및 산업
응용 분야
용도Sanggenone D is a flavanone isolated from Morus plant that showed cytotoxic activity against human oral tumor cell lines HSC-2 and HSG. It is a cyclooxygenase (COX-2) inhibitor. Sanggenon D also showed special activity against gram-positive bacteria such as Staphylococcus epidermis and Staphylococcus aureus.
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