기본 정보
- CAS
174391-72-1- 표준 SMILES
C=C(C)C(O)Cc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc2c1OC(C)(C)C=C2- InChIKey
ZAUWPDSVLSOCDG-UHFFFAOYSA-N- 분자식
- C25H24O6
- 평균 분자량
- 420.5 g/mol
- 단동위원소 질량
- 420.15728848
개요
Yinyanghuo A is an extended flavonoid that is 2',2'-dimethyl-2'H,4H-2,6'-bichromen-4-one substituted by hydroxy groups at positions 5 and 7 and a 2-hydroxy-3-methylbut-3-en-1-yl group at position 8'. Isolated from Epimedium sagittatum, it exhibits inhibitory activity against platelet aggregation. It has a role as a metabolite and a platelet aggregation inhibitor. It is a secondary alcohol, a dihydroxyflavone and an extended flavonoid.
이름 및 식별자
- 우선 이름
- Yinyanghuo A
- IUPAC
- 5,7-dihydroxy-2-[8-(2-hydroxy-3-methylbut-3-enyl)-2,2-dimethylchromen-6-yl]chromen-4-one
이름 및 동의어
Yinyanghuo A174391-72-15,7-dihydroxy-2-[8-(2-hydroxy-3-methylbut-3-enyl)-2,2-dimethylchromen-6-yl]chromen-4-oneCHEBI:664924H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(8-(2-hydroxy-3-methyl-3-butenyl)-2,2-dimethyl-2H-1-benzopyran-6-yl)-, (-)-5,7-dihydroxy-8'-(2-hydroxy-3-methylbut-3-en-1-yl)-2',2'-dimethyl-2'H,4H-2,6'-bichromen-4-one5,7-dihydroxy-2-(8-(2-hydroxy-3-methylbut-3-enyl)-2,2-dimethylchromen-6-yl)chromen-4-oneRefChem:195645CHEMBL462969SCHEMBL3679541LMPK12110428Q27135095
데이터베이스 식별자
- CAS
174391-72-1- PubChem CID
- 5315393
- ChEMBL
CHEMBL462969- ChEBI
CHEBI:66492- Nikkaji
- J869.454K
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 96.2 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 783
실험 및 물리화학적 성질
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
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