Oxonantenine
기본 정보
- CAS
15358-38-0- 표준 SMILES
COc1cc2ccnc3c2c(c1OC)-c1cc2c(cc1C3=O)OCO2- InChIKey
NFDVJYPMLVMXRR-UHFFFAOYSA-N- 분자식
- C19H13NO5
- 평균 분자량
- 335.3 g/mol
- 단동위원소 질량
- 335.07937252
개요
Oxonantenine is an oxoaporphine alkaloid isolated from Annona glabra and has been shown to exhibit acetylcholinesterase inhibitory activity. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor and a plant metabolite. It is an oxoaporphine alkaloid, an aromatic ether, an oxacycle, an organic heteropentacyclic compound and an alkaloid antibiotic. It is functionally related to an aporphine.
이름 및 식별자
- 우선 이름
- Oxonantenine
- IUPAC
- 18,19-dimethoxy-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,12,14,16,18-octaen-11-one
- 영어명
- 7H-Benzo[de][1,3]dioxolo[4,5]benzo[1,2-g]quinolin-7-one,1,2-dimethoxy-
- 분자식
- C19H13NO5
- 분자량
- 335.31022
이름 및 동의어
Oxonantenine15358-38-0CHEBI:70651DTXSID00165360Noraprophin-7-one, 4,5,6,6a-tetradehydro-1,2-dimethoxy-9,10-(methylenedioxy)-18,19-dimethoxy-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,12,14,16,18-octaen-11-one1,2-Dimethoxy-9,10-methylenedioxyoxoaporphine1,2-dimethoxy-7H-benzo[de][1,3]benzodioxolo[5,6-g]quinolin-7-one1,2-dimethoxy-4,5,6,6a-tetradehydro-9,10-(methylenedioxy)noraprophin-7-one18,19-dimethoxy-5,7-dioxa-13-azapentacyclo[10.7.1.0^{2,10}.0^{4,8}.0^{16,20}]icosa-1(19),2,4(8),9,12(20),13,15,17-octaen-11-one1,2-dimethoxy-7H-benzo(de)(1,3)benzodioxolo(5,6-g)quinolin-7-one18,19-dimethoxy-5,7-dioxa-13-azapentacyclo(10.7.1.0^(2,10).0^(4,8).0^(16,20))icosa-1(19),2,4(8),9,12(20),13,15,17-octaen-11-one
이름 더 보기
7H-Benzo[de][1,3]dioxolo[4,5]benzo[1,2-g]quinolin-7-one,1,2-dimethoxy-
18,19-dimethoxy-5,7-dioxa-13-azapentacyclo(10.7.1.02,10.04,8.016,20)icosa-1(20),2,4(8),9,12,14,16,18-octaen-11-oneRefChem:168986DTXCID1087851CHEMBL1270949orb1739001BDBM50328696Q271389831,2-Dimethoxy-7H,10H-benzo[de][1,3]benzodioxolo[5,6-g]quinolin-7-one
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 66.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 542
실험 및 물리화학적 성질
Melting Point297 - 299 °C
Physical DescriptionSolid
화학 및 산업
약리 정보
Cellular LocationsMembrane
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