Stercurensin
기본 정보
- CAS
94388-75-7- 표준 SMILES
COc1cc(O)c(C)c(O)c1C(=O)/C=C/c1ccccc1- InChIKey
JUZVHLGKYJTCKP-CMDGGOBGSA-N- 분자식
- C17H16O4
- 평균 분자량
- 284.31 g/mol
- 단동위원소 질량
- 284.10485899
개요
2',4'-dihydroxy-3'-methyl-6'-methoxychalcone is a member of the class of chalcones that is trans-chalcone substituted by a methyl group at position 3', hydroxy groups at positions 2' and 4' and a methoxy group at position 6'. Isolated from the buds of Cleistocalyx operculatus, it has been shown to exhibit inhibitory effects on the viral neuraminidases from two influenza viral strains, H1N1 and H9N2. It has a role as an EC 3.2.1.18 (exo-alpha-sialidase) inhibitor and a plant metabolite. It is a member of chalcones, a monomethoxybenzene and a member of resorcinols. It is functionally related to a trans-chalcone.
이름 및 식별자
- 우선 이름
- Stercurensin
- IUPAC
- (E)-1-(2,4-dihydroxy-6-methoxy-3-methylphenyl)-3-phenylprop-2-en-1-one
- 영어명
- (E)-1-(2,4-Dihydroxy-6-methoxy-3-methylphenyl)-3-phenyl-2-propen-1-one
- 분자식
- C17H16O4
- 분자량
- 0
이름 및 동의어
Stercurensin(E)-1-(2,4-dihydroxy-6-methoxy-3-methylphenyl)-3-phenylprop-2-en-1-oneRefChem:109905194388-75-7CHEMBL1271362CHEBI:70659(2E)-1-(2,4-dihydroxy-6-methoxy-3-methylphenyl)-3-phenylprop-2-en-1-one2',4'-dihydroxy-3'-methyl-6'-methoxychalcone2',4'-dihydroxy-6'-methoxy-3'-methylchalconeSCHEMBL662966DTXSID201151943BDBM50482873
이름 더 보기
(E)-1-(2,4-Dihydroxy-6-methoxy-3-methylphenyl)-3-phenyl-2-propen-1-one
LMPK12120223Q27138991(2E)-1-(2,4-Dihydroxy-6-methoxy-3-methylphenyl)-3-phenyl-2-propen-1-one1-(2,4-Dihydroxy-6-methoxy-3-methylphenyl)-3-phenyl-2-propen-1-one
데이터베이스 식별자
- CAS
94388-75-7- PubChem CID
- 11778601
- DTXSID
DTXSID201151943- ChEMBL
CHEMBL1271362- ChEBI
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 66.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 373
실험 및 물리화학적 성질
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Chalcones and dihydrochalcones [PK1212]
Melting Point210 - 211 °C
Physical DescriptionSolid
화학 및 산업
약리 정보
Cellular LocationsMembrane
관련 반응
0건
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