Senecionine N-oxide (BioDeep_00000003672)

natural product PANOMIX_OTCML-2023

代谢物信息卡片

Integerrimine N-oxide

化学式: C18H25NO6 (351.168179)
中文名称: 千里光宁氧化物
谱图信息: 最多检出来源 Homo sapiens(feces) 0.12%

分子结构信息

SMILES: C/C=C\1/C[C@H]([C@@](C(=O)OCC2=CC[N+]3([C@H]2[C@@H](CC3)OC1=O)[O-])(C)O)C
InChI: InChI=1S/C18H25NO6/c1-4-12-9-11(2)18(3,22)17(21)24-10-13-5-7-19(23)8-6-14(15(13)19)25-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4-/t11-,14-,15-,18-,19?/m1/s1

描述信息

CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2301
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 146
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 176
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 116
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 136
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 166
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 156
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 106
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 126
Senecionine n-oxide is the primary product of pyrrolizidine alkaloid biosynthesis in root cultures of Senecio vulgaris. Senecionine N-oxide has anti-cancer activity[1][2].

同义名列表

2 个代谢物同义名

Senecionine N-oxide; Integerrimine N-oxide

数据库引用编号

73 个数据库交叉引用编号

ChEBI: CHEBI:52070
KEGG: C15612
PubChem: 5380876
PubChem: 4416755
Metlin: METLIN64458
ChEMBL: CHEMBL471683
KNApSAcK: C00046027
CAS: 13268-67-2
CAS: 13354-33-1
MoNA: PM014303
MoNA: NA000761
MoNA: NA000765
MoNA: NA002455
MoNA: NA000684
MoNA: NA000588
MoNA: NA003595
MoNA: NA003231
MoNA: NA000636
MoNA: NA002853
MoNA: NA002849
MoNA: NA000439
MoNA: NA000590
MoNA: NA002454
MoNA: NA003233
MoNA: NA000540
MoNA: NA003232
MoNA: NA000685
MoNA: NA000487
MoNA: NA000727
MoNA: NA000639
MoNA: NA000586
MoNA: NA000683
MoNA: NA000763
MoNA: NA000637
MoNA: NA000488
MoNA: NA000438
MoNA: NA002851
MoNA: NA000729
MoNA: NA000536
MoNA: NA000730
MoNA: NA000638
MoNA: NA000489
MoNA: NA000764
MoNA: NA000537
MoNA: NA003230
MoNA: NA003597
MoNA: NA000437
MoNA: NA002457
MoNA: NA000490
MoNA: NA000436
MoNA: NA002852
MoNA: NA000728
MoNA: NA000539
MoNA: NA000682
MoNA: NA000440
MoNA: NA003594
MoNA: NA002850
MoNA: NA000762
MoNA: NA002458
MoNA: NA000486
MoNA: NA003598
MoNA: NA003229
MoNA: NA000686
MoNA: NA002456
MoNA: NA003596
MoNA: NA000587
MoNA: NA000538
MoNA: NA000589
MoNA: NA000726
PMhub: MS000010819
PubChem: 17396603
NIKKAJI: J371.923E
medchemexpress: HY-N6637

分类词条

生物碱

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)

15 个相关的物种来源信息

109561 - Dorobaea pimpinellifolia: 10.1016/S0031-9422(00)81571-X
189238 - Jacobaea erucifolia: 10.1007/S004250050420
252537 - Jacobaea maritima: 10.1007/S004250050420
98722 - Jacobaea vulgaris: 10.1007/S004250050420
34220 - Packera glabella: 10.1139/CJR39B-002
33090 - Plants: -
462520 - Senecio deferens: 10.1016/S0031-9422(00)95221-X
121545 - Senecio gallicus: 10.1016/0031-9422(88)80225-5
58524 - Senecio inaequidens: 10.1007/S004250050420
121550 - Senecio nebrodensis: 10.1016/S0031-9422(00)95221-X
1886452 - Senecio rosmarinifolius: 10.1016/S0031-9422(00)84745-7
121554 - Senecio squalidus: 10.1016/S0031-9422(00)95221-X
462567 - Senecio triangularis: 10.1016/B978-0-444-59433-4.00002-X
93496 - Senecio vernalis: 10.1007/S004250050420
76276 - Senecio vulgaris:

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

Yan Chen, Yingying Tang, Pei Liu, Jinyuan Wang, Weiqian Wang, Changhong Wang, Lili Ding, Li Yang, Aizhen Xiong, Zhengtao Wang. Species difference in toxicokinetics and safety assessment of senecionine N-oxide in a UDP-glucuronosyltransferase 1A4 humanized mouse model. Chemico-biological interactions. 2023 Apr; ?(?):110505. doi: 10.1016/j.cbi.2023.110505. [PMID: 37080376]
Mengbi Yang, Jianqing Ruan, Hong Gao, Na Li, Jiang Ma, Junyi Xue, Yang Ye, Peter Pi-Cheng Fu, Jiyao Wang, Ge Lin. First evidence of pyrrolizidine alkaloid N-oxide-induced hepatic sinusoidal obstruction syndrome in humans. Archives of toxicology. 2017 Dec; 91(12):3913-3925. doi: 10.1007/s00204-017-2013-y. [PMID: 28620673]
Xiaojie Liu, Peter G L Klinkhamer, Klaas Vrieling. The effect of structurally related metabolites on insect herbivores: A case study on pyrrolizidine alkaloids and western flower thrips. Phytochemistry. 2017 Jun; 138(?):93-103. doi: 10.1016/j.phytochem.2017.02.027. [PMID: 28267991]
Elizabeth M Mudge, A Maxwell P Jones, Paula N Brown. Quantification of pyrrolizidine alkaloids in North American plants and honey by LC-MS: single laboratory validation. Food additives & contaminants. Part A, Chemistry, analysis, control, exposure & risk assessment. 2015; 32(12):2068-74. doi: 10.1080/19440049.2015.1099743. [PMID: 26482059]
Tim C Thoden, Michael Boppré, Johannes Hallmann. Effects of pyrrolizidine alkaloids on the performance of plant-parasitic and free-living nematodes. Pest management science. 2009 Jul; 65(7):823-30. doi: 10.1002/ps.1764. [PMID: 19378265]
I Narberhaus, C Theuring, T Hartmann, S Dobler. Uptake and metabolism of pyrrolizidine alkaloids in Longitarsus flea beetles (Coleoptera: Chrysomelidae) adapted and non-adapted to alkaloid-containing host plants. Journal of comparative physiology. B, Biochemical, systemic, and environmental physiology. 2003 Aug; 173(6):483-91. doi: 10.1007/s00360-003-0356-6. [PMID: 12802610]
M Peterka, S Sarin, E Roeder, H Wiedenfeld, M Halasková. Differing embryotoxic effects of senecionine and senecionine-N-oxide on the chick embryo. Functional and developmental morphology. 1994; 4(2):89-92. doi: . [PMID: 7873804]