Pegenone (BioDeep_00000396617)
Secondary id: BioDeep_00000003991
PANOMIX_OTCML-2023
代谢物信息卡片
化学式: C11H10N2O (186.0793)
中文名称: 脱氧鸭嘴花碱酮
谱图信息:
最多检出来源 Viridiplantae(plant) 13.14%
分子结构信息
SMILES: C1CC2=NC3=CC=CC=C3C(=O)N2C1
InChI: InChI=1S/C11H10N2O/c14-11-8-4-1-2-5-9(8)12-10-6-3-7-13(10)11/h1-2,4-5H,3,6-7H2
描述信息
Deoxyvasicinone is a member of quinazolines.
Deoxyvasicinone is a natural product found in Justicia adhatoda, Isatis tinctoria, and other organisms with data available.
同义名列表
16 个代谢物同义名
InChI=1/C11H10N2O/c14-11-8-4-1-2-5-9(8)12-10-6-3-7-13(10)11/h1-2,4-5H,3,6-7H; 1,2,3,10-tetrahydro-pyrrolo[2,1-b]quinazolin-9-one; Pyrrolo[2,1-b]quinazolin-9(1H)-one, 2,3-dihydro-; Pyrrolo(2,1-b)quinazolin-9(1H)-one, 2,3-dihydro-; 9-Oxodeoxypeganine; Deoxyvasicinone; NSC 159478; Pyrrolo[2,1-b]quinazolin-9(1H)-one,2,3-dihydro-; 2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one; 2,3-Dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one; 1H,2H,3H,9H-pyrrolo[2,1-b]quinazolin-9-one; 3H-Quinazolin-4-one, 2,3-trimethyleno; 2,3-trimethylene-4-quinazolone; VARHXCYGZKSOOO-UHFFFAOYSA-N; Deoxyvasicinone; Desoxyvasicinon; Pegenone; Deoxyvasicinone
数据库引用编号
13 个数据库交叉引用编号
- ChEBI: CHEBI:4435
- KEGG: C10659
- PubChem: 68261
- ChEMBL: CHEMBL456881
- MeSH: 2,3-trimethylene-4-quinazolone
- ChemIDplus: 0000530530
- KNApSAcK: C00002150
- CAS: 530-53-0
- medchemexpress: HY-N3735
- PubChem: 12842
- 3DMET: B04036
- NIKKAJI: J324.098C
- KNApSAcK: 4435
分类词条
相关代谢途径
Reactome(0)
BioCyc(0)
PlantCyc(0)
代谢反应
0 个相关的代谢反应过程信息。
Reactome(0)
BioCyc(0)
WikiPathways(0)
Plant Reactome(0)
INOH(0)
PlantCyc(0)
COVID-19 Disease Map(0)
PathBank(0)
PharmGKB(0)
8 个相关的物种来源信息
- 35708 - Arundo donax:
- 47101 - Galega officinalis: 10.1016/S0021-9673(01)93059-6
- 161756 - Isatis tinctoria:
- 141317 - Justicia adhatoda: 10.1016/S0031-9422(00)83845-5
- 1619327 - Nitraria komarovii: 10.1007/BF00631009
- 1619328 - Nitraria schoberi: 10.1007/S10600-005-0211-Y
- 43879 - Peganum harmala:
- 673036 - Peganum nigellastrum:
在这里通过桑基图来展示出与当前的这个代谢物在我们的BioDeep知识库中具有相关联信息的其他代谢物。在这里进行关联的信息来源主要有：
- PubMed: 来源于PubMed文献库中的文献信息，我们通过自然语言数据挖掘得到的在同一篇文献中被同时提及的相关代谢物列表，这个列表按照代谢物同时出现的文献数量降序排序，取前10个代谢物作为相关研究中关联性很高的代谢物集合展示在桑基图中。
- NCBI Taxonomy: 通过文献数据挖掘，得到的代谢物物种来源信息关联。这个关联信息同样按照出现的次数降序排序，取前10个代谢物作为高关联度的代谢物集合展示在桑吉图上。
- Chemical Taxonomy: 在物质分类上处于同一个分类集合中的其他代谢物
- Chemical Reaction: 在化学反应过程中，存在为当前代谢物相关联的生化反应过程中的反应底物或者反应产物的关联代谢物信息。
点击图上的相关代谢物的名称，可以跳转到相关代谢物的信息页面。
文献列表
- Hongtao Du, Xinlian Liu, Jusen Xie, Fang Ma. Novel Deoxyvasicinone-Donepezil Hybrids as Potential Multitarget Drug Candidates for Alzheimer's Disease.
ACS chemical neuroscience.
2019 05; 10(5):2397-2407. doi:
10.1021/acschemneuro.8b00699. [PMID: 30720268] - Fang Ma, Hongtao Du. Novel deoxyvasicinone derivatives as potent multitarget-directed ligands for the treatment of Alzheimer's disease: Design, synthesis, and biological evaluation.
European journal of medicinal chemistry.
2017 Nov; 140(?):118-127. doi:
10.1016/j.ejmech.2017.09.008. [PMID: 28923380] - Bin Liu. [Study on chemical constituents of Peganum multisectum].
Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials.
2011 Nov; 34(11):1719-21. doi:
. [PMID: 22506396] - Burkhon Zh Elmuradov, Rasul Ya Okmanov, Asqar Sh Abdurazakov, Bakhodir Tashkhodjaev, Khusnutdin M Shakhidoyatov. (E)-3-[4-(Dimethyl-amino)-benzyl-idene]-2,3-di-hydro-1H,9H-pyrrolo-[2,1-b]quinazolin-9-one.
Acta crystallographica. Section E, Structure reports online.
2010 Jun; 66(Pt 7):o1592. doi:
10.1107/s1600536810020878. [PMID: 21587830] - Adil Astulla, Kazumasa Zaima, Yosuke Matsuno, Yusuke Hirasawa, Wiwied Ekasari, Aty Widyawaruyanti, Noor Cholies Zaini, Hiroshi Morita. Alkaloids from the seeds of Peganum harmala showing antiplasmodial and vasorelaxant activities.
Journal of natural medicines.
2008 Oct; 62(4):470-2. doi:
10.1007/s11418-008-0259-7. [PMID: 18523842]
