기본 정보
- CAS
530-22-3- 표준 SMILES
COc1cc(CCCO)cc2cc(-c3ccc4c(c3)OCO4)oc12- InChIKey
VOLZBKQSLGCZGC-UHFFFAOYSA-N- 분자식
- C19H18O5
- 평균 분자량
- 326.3 g/mol
- 단동위원소 질량
- 326.11542367
개요
Egonol is a member of the class of 1-benzofurans that is 1-benzofuran substituted by a methoxy group at position 7, a 1,3-benzodioxol-5-yl group at position 2 and a 3-hydroxypropyl group at position 5. It has been isolated from Styrax agrestis. It has a role as a plant metabolite. It is a primary alcohol, an aromatic ether, a member of benzodioxoles and a member of 1-benzofurans. It derives from a hydride of a 1-benzofuran.
이름 및 식별자
- 우선 이름
- Egonol
- IUPAC
- 3-[2-(1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propan-1-ol
- 영어명
- 5-(3-Hydroxypropyl)-7-methoxy-2-(3,4-methylenedioxyphenyl)benzofuran
- 분자식
- C19H18O5
- 분자량
- 326.34
이름 및 동의어
Egonol530-22-3CHEBI:695585-(3''-Hydroxypropyl)-7-methoxy-2-(3',4'-methylenedioxyphenyl)benzofuran2-(1,3-Benzodioxol-5-yl)-7-methoxy-5-benzofuranpropanol, 9CI5-Benzofuranpropanol, 7-methoxy-2-[3,4-(methylenedioxy)phenyl]-3-(2-Benzo[1,3]dioxol-5-yl-7-methoxy-benzofuran-5-yl)-propan-1-ol5-(2-Hydroxypropyl)-7-methoxy-2-(3,4-methylenedioxyphenyl)benzofuran5-Benzofuranpropanol, 7-methoxy-2-(3,4-(methylenedioxy)phenyl)-3-(2-Benzo(1,3)dioxol-5-yl-7-methoxy-benzofuran-5-yl)-propan-1-olRefChem:136362InChI=1/C19H18O5/c1-21-18-8-12(3-2-6-20)7-14-10-16(24-19(14)18)13-4-5-15-17(9-13)23-11-22-15/h4-5,7-10,20H,2-3,6,11H2,1H
이름 더 보기
2-(1,3-Benzodioxol-5-yl)-7-methoxy-5-benzofuran-(1-propanol)3-[2-(1,3-Benzodioxol-5-yl)-7-methoxybenzofuran-5-yl]-1-propanol
VOLZBKQSLGCZGC-UHFFFAOYSA-N3-[2-(1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propan-1-ol2-(1,3-Benzodioxol-5-yl)-7-methoxy-5-benzofuranpropanolCHEMBL4709813-(2-(benzo[d][1,3]dioxol-5-yl)-7-methoxybenzofuran-5-yl)propan-1-ol5-(3-Hydroxypropyl)-7-methoxy-2-(3,4-methylenedioxyphenyl)benzofuran5-Benzofuranpropanol, 2-(1,3-benzodioxol-5-yl)-7-methoxy-3-[2-(2H-1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propan-1-ol
물성
구조 계산 물성
- XLogP
- 3.7
- 극성 표면적
- 61.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 417
실험 및 물리화학적 성질
Melting Point117.5 - 118 °C
Physical DescriptionSolid
물리화학적 성질
- 녹는점
- 118 °C · 118°C
- 끓는 점
- 424.39 °C · 424.39°C (rough estimate)
- 밀도
- 1.2068 · 1.2068 (rough estimate)
- 굴절률
- 1.5 · 1.5000 (estimate)
화학 및 산업
약리 정보
Cellular LocationsMembrane
공급사2 곳
上海萄普生物医药技术有限公司15900573766 18018507602 · [email protected]
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