Centaurein (BioDeep_00000243637)

PANOMIX_OTCML-2023 natural product

代谢物信息卡片

5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6-dimethoxy-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

化学式: C24H26O13 (522.1373346)
中文名称:
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: c(c4O)(C2=O)c(cc(c4OC)O[C@@H]([C@H]3O)OC(CO)[C@H](O)[C@@H]3O)OC(=C(OC)2)c(c1)ccc(c1O)OC
InChI: InChI=1S/C24H26O13/c1-32-11-5-4-9(6-10(11)26)21-23(34-3)18(29)15-12(35-21)7-13(22(33-2)17(15)28)36-24-20(31)19(30)16(27)14(8-25)37-24/h4-7,14,16,19-20,24-28,30-31H,8H2,1-3H3/t14-,16-,19+,20-,24-/m1/s1

描述信息

同义名列表

3 个代谢物同义名

Centaurein; 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6-dimethoxy-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; 7- (beta-D-Glucopyranosyloxy) -5-hydroxy-2- (3-hydroxy-4-methoxyphenyl) -3,6-dimethoxy-4H-1-benzopyran-4-one

数据库引用编号

11 个数据库交叉引用编号

PubChem: 5489090
PubChem: 44259823
PubChem: 5973941
Metlin: METLIN44380
ChEMBL: CHEMBL484037
LipidMAPS: LMPK12112933
KNApSAcK: C00005675
CAS: 35595-03-0
PMhub: MS000093083
Flavonoid: FL5FECGS0029
LOTUS: LTS0088902

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)

33 个相关的物种来源信息

4210 - Asteraceae: LTS0088902
42336 - Bidens: LTS0088902
42337 - Bidens pilosa: 10.1016/J.JEP.2004.08.010
42337 - Bidens pilosa: LTS0088902
102753 - Brickellia: LTS0088902
1550823 - Brickellia glutinosa: 10.1021/NP50034A026
1550823 - Brickellia glutinosa: LTS0088902
41503 - Centaurea: LTS0088902
1033235 - Centaurea bracteata: 10.1016/S0031-9422(01)00345-4
1033235 - Centaurea bracteata: LTS0088902
1436089 - Centaurea corcubionensis: 10.1055/S-2006-957386
1436089 - Centaurea corcubionensis: LTS0088902
351340 - Centaurea jacea: LTS0088902
1486532 - Centaurea jacea subsp. gaudinii: 10.1016/S0031-9422(01)00345-4
1486532 - Centaurea jacea subsp. gaudinii: LTS0088902
75633 - Centaurea nigra: 10.1016/B978-0-12-013320-8.50007-1
75633 - Centaurea nigra: LTS0088902
2759 - Eukaryota: LTS0088902
176601 - Galinsoga: LTS0088902
183030 - Galinsoga quadriradiata: 10.1007/BF00564480
183030 - Galinsoga quadriradiata: LTS0088902
3398 - Magnoliopsida: LTS0088902
3440 - Ranunculaceae: LTS0088902
3445 - Ranunculus: LTS0088902
286923 - Ranunculus laetus: 10.1007/S10600-009-9408-9
286923 - Ranunculus laetus: LTS0088902
35493 - Streptophyta: LTS0088902
58023 - Tracheophyta: LTS0088902
183092 - Tridax: LTS0088902
318066 - Tridax procumbens: 10.1139/V08-097
318066 - Tridax procumbens: 10.3987/COM-02-9432
318066 - Tridax procumbens: LTS0088902
33090 - Viridiplantae: LTS0088902

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

Shinji Nakama, Kazumi Tamaki, Chie Ishikawa, Masayuki Tadano, Naoki Mori. Efficacy of Bidens pilosa Extract against Herpes Simplex Virus Infection In Vitro and In Vivo. Evidence-based complementary and alternative medicine : eCAM. 2012; 2012(?):413453. doi: 10.1155/2012/413453. [PMID: 22474501]
Mansoor Ahmad, Noor Muhammad, Mehjabeen, Noor Jahan, Manzoor Ahmad, Obaidullah, Mahmood Qureshi, Syed Umar Jan. Spasmolytic effects of Scrophularia nodosa extract on isolated rabbit intestine. Pakistan journal of pharmaceutical sciences. 2012 Jan; 25(1):267-75. doi: . [PMID: 22186340]
Nima D Namsa, Manabendra Mandal, Sumpam Tangjang, Subhash C Mandal. Ethnobotany of the Monpa ethnic group at Arunachal Pradesh, India. Journal of ethnobiology and ethnomedicine. 2011 Oct; 7(?):31. doi: 10.1186/1746-4269-7-31. [PMID: 21995750]
Paul R Hanlon, Melissa G Robbins, Chris Scholl, David M Barnes. Aqueous extracts from dietary supplements influence the production of inflammatory cytokines in immortalized and primary T lymphocytes. BMC complementary and alternative medicine. 2009 Dec; 9(?):51. doi: 10.1186/1472-6882-9-51. [PMID: 20003431]
Shu-Lin Chang, Yi-Ming Chiang, Cicero Lee-Tian Chang, Hsu-Hua Yeh, Lie-Fen Shyur, Yueh-Hsiung Kuo, Tung-Kung Wu, Wen-Chin Yang. Flavonoids, centaurein and centaureidin, from Bidens pilosa, stimulate IFN-gamma expression. Journal of ethnopharmacology. 2007 Jun; 112(2):232-6. doi: 10.1016/j.jep.2007.03.001. [PMID: 17408892]
Yi-Ming Chiang, Da-Yung Chuang, Sheng-Yang Wang, Yueh-Hsiung Kuo, Pi-Wen Tsai, Lie-Fen Shyur. Metabolite profiling and chemopreventive bioactivity of plant extracts from Bidens pilosa. Journal of ethnopharmacology. 2004 Dec; 95(2-3):409-19. doi: 10.1016/j.jep.2004.08.010. [PMID: 15507368]