기본 정보
- CAS
18904-40-0- 표준 SMILES
COc1ccc2c(=O)c3ccoc3n(CC=C(C)C)c2c1- InChIKey
GARIOWCJZYSSOE-UHFFFAOYSA-N- 분자식
- C17H17NO3
- 평균 분자량
- 283.32 g/mol
- 단동위원소 질량
- 283.1208434
개요
Acrophylline is a quinoline alkaloid that is furo[2,3-b]quinolin-4-one bearing additional 3,3-dimethylallyl and methoxy substituents at positions 9 and 7 respectively. It has a role as a plant metabolite. It is a quinoline alkaloid, an aromatic ether, an olefinic compound and a furoquinoline.
이름 및 식별자
- 우선 이름
- Acrophylline
- IUPAC
- 7-methoxy-9-(3-methylbut-2-enyl)furo[2,3-b]quinolin-4-one
- 현지명
- 아크로필린
- 영어명
- acrophylline
- 분자식
- C17H17NO3
- 분자량
- 0
이름 및 동의어
Acrophylline18904-40-07-methoxy-9-(3-methylbut-2-enyl)furo[2,3-b]quinolin-4-oneCHEBI:2438DTXSID601722927-methoxy-9-(3-methylbut-2-enyl)furo[2,3-b]quinolin-4(9H)-oneFuro(2,3-b)quinolin-4(9H)-one, 7-methoxy-9-(3-methyl-2-butenyl)-Furo[2,3-b]quinolin-4(9H)-one, 7-methoxy-9-(3-methyl-2-butenyl)-7-methoxy-9-(3-methylbut-2-enyl)furo(2,3-b)quinolin-4-one7-methoxy-9-(3-methylbut-2-enyl)furo(2,3-b)quinolin-4(9H)-oneRefChem:915066DTXCID5094783
이름 더 보기
아크로필린7-Methoxy-9-(3-methyl-2-butenyl)furo[2,3-b]quinolin-4(9H)-one
7-Methoxy-9-(3-methyl-2-buten-1-yl)furo(2,3-b)quinolin-4(9H)-one7-Methoxy-9-(3-methyl-2-butenyl)furo(2,3-b)quinolin-4(9H)-oneCHEMBL447116orb3024193GARIOWCJZYSSOE-UHFFFAOYSA-NNSC121139NSC 121139NSC-121139
데이터베이스 식별자
- CAS
18904-40-0- PubChem CID
물성
구조 계산 물성
- XLogP
- 4
- 극성 표면적
- 42.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 430
실험 및 물리화학적 성질
SpringerMaterials PropertiesChemical diffusion
화학 및 산업
공급사1 곳
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
추가 설명
정의ChEBI: A quinoline alkaloid that is furo[2,3-b]quinolin-4-one bearing additional 3,3-dimethylallyl and methoxy substituents at positions 9 and 7 respectively.
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