sissotrin (BioDeep_00000398527)

natural product PANOMIX_OTCML-2023

代谢物信息卡片

Biochanin a 7-O-beta-D-glucoside

化学式: C22H22O10 (446.1212912)
中文名称: 西索特林
谱图信息: 最多检出来源 Homo sapiens(natural_products) 7.69%

分子结构信息

SMILES: COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O
InChI: InChI=1S/C22H22O10/c1-29-11-4-2-10(3-5-11)13-9-30-15-7-12(6-14(24)17(15)18(13)25)31-22-21(28)20(27)19(26)16(8-23)32-22/h2-7,9,16,19-24,26-28H,8H2,1H3

描述信息

relative retention time with respect to 9-anthracene Carboxylic Acid is 0.909
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.907
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.906

同义名列表

3 个代谢物同义名

sissotrin; Biochanin a 7-O-beta-D-glucoside; Sissotrine

数据库引用编号

42 个数据库交叉引用编号

ChEBI: CHEBI:28751
KEGG: C05376
PubChem: 5280781
PubChem: 5358913
ChEMBL: CHEMBL3426809
ChEMBL: CHEMBL1405026
CAS: 5928-26-7
MoNA: PM008222
MoNA: PM014202
MoNA: MetaboBASE0332
MoNA: MetaboBASE0331
MoNA: MetaboBASE0330
MoNA: MetaboBASE0329
MoNA: MetaboBASE0328
MoNA: MetaboBASE0327
MoNA: MetaboBASE0326
MoNA: MetaboBASE0325
MoNA: MetaboBASE0324
MoNA: MetaboBASE0323
MoNA: MetaboBASE0322
MoNA: MetaboBASE0321
MoNA: MetaboBASE0320
MoNA: MetaboBASE0319
MoNA: MetaboBASE0318
MoNA: MetaboBASE0317
MoNA: MetaboBASE0316
MoNA: PT108680
MoNA: BML82188
MoNA: BML82187
MoNA: BML82186
MoNA: BML82185
MoNA: BML00225
MoNA: BML00212
MoNA: BML00199
MoNA: BML00186
MoNA: BML00172
MoNA: BML00158
PubChem: 7750
LipidMAPS: LMPK12050219
KNApSAcK: C00010112
3DMET: B01849
NIKKAJI: J14.104F

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)

34 个相关的物种来源信息

339474 - Astragalus austriacus: 10.1002/JPS.2600640504
242878 - Cicer anatolicum: 10.1016/S0031-9422(97)00798-X
3827 - Cicer arietinum:
90899 - Cicer bijugum: 10.1016/S0031-9422(97)00798-X
200948 - Cicer canariense: 10.1016/S0031-9422(97)00798-X
107682 - Cicer chorassanicum: 10.1016/S0031-9422(97)00798-X
92720 - Cicer cuneatum: 10.1016/S0031-9422(97)00798-X
90897 - Cicer echinospermum: 10.1016/S0031-9422(97)00798-X
242867 - Cicer flexuosum: 10.1007/BF02249145
92719 - Cicer judaicum: 10.1016/S0031-9422(97)00798-X
200949 - Cicer macracanthum: 10.1016/S0031-9422(97)00798-X
224826 - Cicer microphyllum: 10.1016/S0031-9422(97)00798-X
242870 - Cicer nuristanicum: 10.1016/S0031-9422(97)00798-X
242871 - Cicer oxyodon: 10.1016/S0031-9422(97)00798-X
47088 - Cicer pinnatifidum: 10.1016/S0031-9422(97)00798-X
90898 - Cicer reticulatum: 10.1016/S0031-9422(97)00798-X
242873 - Cicer songaricum: 10.1007/BF00629811
242877 - Cicer tragacanthoides: 10.1007/BF00629810
92718 - Cicer yamashitae: 10.1016/S0031-9422(97)00798-X
1402425 - Corethrodendron multijugum: 10.1002/RCM.3277
1978221 - Crotalaria thebaica: 10.21608/BFSA.2000.66404
107308 - Dalbergia sissoo:
3039 - Euglena gracilis: 10.3389/FBIOE.2021.662655
49810 - Genista tridentata:
3880 - Medicago truncatula: 10.1016/J.PHYTOCHEM.2006.10.023
58890 - Ononis spinosa: 10.1055/S-2007-969907
3893 - Pueraria montana var. lobata: 10.1021/NP5009416
3896 - Sophora: 10.1007/BF00564330
3897 - Styphnolobium japonicum:
361561 - Trifolium aureum: 10.1007/BF00579982
97020 - Trifolium diffusum: 10.1007/BF00630553
60916 - Trifolium incarnatum: 10.1055/S-2007-969907
3899 - Trifolium repens: 10.1055/S-2007-969907
3900 - Trifolium subterraneum: 10.1021/NP970503R

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

Bingrui Liu, Kenneth T Kongstad, Sun Qinglei, Nils T Nyberg, Anna K Jäger, Dan Staerk. Dual high-resolution α-glucosidase and radical scavenging profiling combined with HPLC-HRMS-SPE-NMR for identification of minor and major constituents directly from the crude extract of Pueraria lobata. Journal of natural products. 2015 Feb; 78(2):294-300. doi: 10.1021/np5009416. [PMID: 25679337]