기본 정보
- CAS
122290-50-0- 표준 SMILES
COc1cc2occ(-c3ccc(O)cc3O)c(=O)c2c(O)c1CC=C(C)C- InChIKey
AZPLXDBZIQMMMT-UHFFFAOYSA-N- 분자식
- C21H20O6
- 평균 분자량
- 368.4 g/mol
- 단동위원소 질량
- 368.12598835
개요
7-O-methylluteone is a hydroxyisoflavone that is luteone in which the hydroxy group at position 7 is replaced by a methoxy group. It has a role as a metabolite and an EC 1.1.1.21 (aldehyde reductase) inhibitor. It is a member of 7-methoxyisoflavones and a hydroxyisoflavone. It is functionally related to a luteone. It is a conjugate acid of a 7-O-methylluteone(1-).
이름 및 식별자
- 우선 이름
- 7-O-Methylluteone
- IUPAC
- 3-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-(3-methylbut-2-enyl)chromen-4-one
- 영어명
- 7-O-Methylluteone
- 분자식
- C21H20O6
- 분자량
- 368.38
이름 및 동의어
7-O-Methylluteone122290-50-0ST6SCG8ZUC3-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-(3-methylbut-2-enyl)chromen-4-oneCHEBI:27430DTXSID003315683-(2,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-6-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one3-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one3-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-(3-methylbut-2-en-1-yl)-4H-chromen-4-one4H-1-Benzopyran-4-one, 3-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-(3-methyl-2-butenyl)-5,2',4'-trihydroxy-7-methoxy-6-(3-methylbut-2-enyl)isoflavoneRefChem:106476
이름 더 보기
4H-1-Benzopyran-4-one, 3-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-(3-methyl-2-buten-1-yl)-
DTXCID00282662UNII-ST6SCG8ZUCCHEMBL3809337C07290orb3024132SCHEMBL1170940BDBM50172097TN10789
데이터베이스 식별자
- CAS
122290-50-0- PubChem CID
- 441251
- DTXSID
DTXSID00331568- ChEMBL
CHEMBL3809337- ChEBI
CHEBI:27430- UNII
- ST6SCG8ZUC
- Nikkaji
- J397.892C
물성
구조 계산 물성
- XLogP
- 4.6
- 극성 표면적
- 96.2 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 608
물리화학적 성질
- 끓는 점
- 621.5 · 621.5±55.0 °C(Predicted)
- 밀도
- 1.342 · 1.342±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 6.7 · 6.70±0.20(Predicted)
화학 및 산업
공급사2 곳
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
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