Sophoraflavanone L
기본 정보
- CAS
910459-01-7- 표준 SMILES
CC(C)=CCOc1cc(O)c2c(c1CC=C(C)C)OC(c1ccc(O)cc1O)CC2=O- InChIKey
SXRPAWKWQUYIOI-UHFFFAOYSA-N- 분자식
- C25H28O6
- 평균 분자량
- 424.5 g/mol
- 단동위원소 질량
- 424.18858861
개요
Sophoraflavanone L is a trihydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5, 2' and 4', a prenyl group at position 8 and a prenyloxy group at position 7. Isolated from the roots of Sophora flavescens, it exhibits cytotoxicity towards KB epidermoid carcinoma cell line. It has a role as a metabolite and an antineoplastic agent. It is a member of 4'-hydroxyflavanones and a trihydroxyflavanone.
이름 및 식별자
- 우선 이름
- Sophoraflavanone L
- IUPAC
- 2-(2,4-dihydroxyphenyl)-5-hydroxy-7-(3-methylbut-2-enoxy)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
이름 및 동의어
SOPHORAFLAVANONE LCHEBI:665132-(2,4-dihydroxyphenyl)-5-hydroxy-7-(3-methylbut-2-enoxy)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-oneRefChem:1048723CHEMBL463940SCHEMBL30766211DTXSID101104006910459-01-7Q271351195,2',4'-trihydroxy-7-(gamma,gamma-dimethylallyloxy)-8-(gamma,gamma-dimethylallyl)flavanone2-(2,4-Dihydroxyphenyl)-2,3-dihydro-5-hydroxy-8-(3-methyl-2-buten-1-yl)-7-[(3-methyl-2-buten-1-yl)oxy]-4H-1-benzopyran-4-one2-(2,4-dihydroxyphenyl)-5-hydroxy-8-(3-methylbut-2-en-1-yl)-7-[(3-methylbut-2-en-1-yl)oxy]-2,3-dihydro-4H-chromen-4-one
데이터베이스 식별자
- CAS
910459-01-7- PubChem CID
- 16083180
- DTXSID
DTXSID101104006- ChEMBL
CHEMBL463940- ChEBI
CHEBI:66513- Nikkaji
- J2.364.195J
물성
구조 계산 물성
- XLogP
- 5.8
- 극성 표면적
- 96.2 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 677
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