thevetin B (BioDeep_00000003837)

PANOMIX_OTCML-2023 Volatile Flavor Compounds natural product

代谢物信息卡片

3beta-[beta-D-glucopyranosyl-(1-6)-beta-D-glucopyranosyl-(1-4)-6-deoxy-3-O-methyl-alpha-L-glucopyranosyloxy]-14-hydroxy-5beta-card-20(22)-enolide

化学式: C42H66O18 (858.4248936000001)
中文名称:
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 1.25%

分子结构信息

SMILES: C1[C@@]2(C)[C@]([H])(CC[C@]3([H])[C@]2([H])CC[C@]2(C)[C@@]([H])(C4COC(=O)C=4)CC[C@]32O)C[C@@H](O[C@H]2[C@@H](O)[C@H](OC)[C@@H](O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)[C@H](C)O2)C1
InChI: InChI=1S/C42H66O18/c1-18-35(60-38-33(50)31(48)29(46)26(59-38)17-55-37-32(49)30(47)28(45)25(15-43)58-37)36(53-4)34(51)39(56-18)57-21-7-10-40(2)20(14-21)5-6-24-23(40)8-11-41(3)22(9-12-42(24,41)52)19-13-27(44)54-16-19/h13,18,20-26,28-39,43,45-52H,5-12,14-17H2,1-4H3/t18-,20+,21-,22+,23-,24+,25+,26+,28+,29+,30-,31-,32+,33+,34-,35-,36-,37+,38-,39-,40-,41+,42-/m0/s1

描述信息

D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides

同义名列表

6 个代谢物同义名

Cerberoside; thevetin B; 3beta-[beta-D-glucopyranosyl-(1-6)-beta-D-glucopyranosyl-(1-4)-6-deoxy-3-O-methyl-alpha-L-glucopyranosyloxy]-14-hydroxy-5beta-card-20(22)-enolide; SCHEMBL12556692; Thevetin B; Cerberoside

数据库引用编号

17 个数据库交叉引用编号

ChEBI: CHEBI:27511
KEGG: C08856
KEGG: C12091
PubChem: 441850
PubChem: 4482826
LipidMAPS: LMST01120011
KNApSAcK: C00003610
CAS: 11005-70-2
CAS: 27127-79-3
PMhub: MS000012146
PubChem: 11049
3DMET: B02465
NIKKAJI: J17.336C
PubChem: 14240
NIKKAJI: J9.805A
KNApSAcK: 27511
LOTUS: LTS0053067

分类词条

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)

23 个相关的物种来源信息

4056 - Apocynaceae: LTS0053067
141542 - Cascabela: LTS0053067
141544 - Cerbera: LTS0053067
141545 - Cerbera manghas: 10.1248/CPB.35.4813
141545 - Cerbera manghas: 10.1248/CPB.35.4993
141545 - Cerbera manghas: LTS0053067
2759 - Eukaryota: LTS0053067
3398 - Magnoliopsida: LTS0053067
35493 - Streptophyta: LTS0053067
45319 - Thevetia: 10.1248/CPB.45.1536
45319 - Thevetia: LTS0053067
141618 - Thevetia ahouai: 10.1248/CPB.45.1536
930818 - Thevetia neriifolia:
930818 - Thevetia neriifolia: 10.1016/0031-9422(91)83047-O
930818 - Thevetia neriifolia: 10.1016/S0031-9422(00)90426-6
930818 - Thevetia neriifolia: LTS0053067
52862 - Thevetia peruviana:
52862 - Thevetia peruviana: 10.1016/0031-9422(91)83047-O
52862 - Thevetia peruviana: 10.1016/S0031-9422(00)90426-6
52862 - Thevetia peruviana: 10.1055/S-2007-969593
52862 - Thevetia peruviana: LTS0053067
58023 - Tracheophyta: LTS0053067
33090 - Viridiplantae: LTS0053067

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

Dasom Shin, Hui-Seung Kang, Eun Mi Park, Jungju Kim, Jeongeun Kwon, Junghyuck Suh, Guiim Moon. Authentication of tejocote (Crataegus mexicana) dietary supplements based on DNA barcoding and chemical profiling. Food additives & contaminants. Part A, Chemistry, analysis, control, exposure & risk assessment. 2021 Dec; 38(12):1985-1994. doi: 10.1080/19440049.2021.1964701. [PMID: 34415825]
Sarah Kohls, Barbara Scholz-Böttcher, Jürgen Rullkötter, Jörg Teske. Method validation of a survey of thevetia cardiac glycosides in serum samples. Forensic science international. 2012 Feb; 215(1-3):146-51. doi: 10.1016/j.forsciint.2011.02.013. [PMID: 21376490]
E Uber-Bucek, M Hamon, C Pham Huy, H Dadoun. Determination of thevetin B in serum by fluorescence polarization immunoassay. Journal of pharmaceutical and biomedical analysis. 1992 Jun; 10(6):413-9. doi: 10.1016/0731-7085(92)80059-v. [PMID: 1420463]