5-O-Methylembelin (BioDeep_00000008054)

human metabolite PANOMIX_OTCML-2023

代谢物信息卡片

2-hydroxy-5-methoxy-3-undecylcyclohexa-2,5-diene-1,4-dione

化学式: C18H28O4 (308.19874880000003)
中文名称: 2-羟基-5-甲氧基-3-十一烷基[1,4]苯醌
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: C1(=CC(=O)C(=C(C1=O)CCCCCCCCCCC)O)OC
InChI: InChI=1S/C18H28O4/c1-3-4-5-6-7-8-9-10-11-12-14-17(20)15(19)13-16(22-2)18(14)21/h13,20H,3-12H2,1-2H3

描述信息

5-O-Methylembelin is a constituent of Myrsine africana (cape myrtle).
Constituent of Myrsine africana (cape myrtle)
5-O-Methylembelin is a natural isocoumarin that inhibits PCSK9, inducible degrader of the low-density lipoprotein receptor (IDLR), and sterol regulatory element binding protein 2 (SREBP2) mRNA expression[1].

同义名列表

4 个代谢物同义名

2-hydroxy-5-methoxy-3-undecylcyclohexa-2,5-diene-1,4-dione; 2-hydroxy-5-methoxy-3-undecyl[1,4]benzoquinone; 2-hydroxy-5-methoxy-3-undecyl-1,4-benzoquinone; 5-O-Methylembelin

数据库引用编号

17 个数据库交叉引用编号

ChEBI: CHEBI:65842
KEGG: C10373
PubChem: 171489
HMDB: HMDB0040867
Metlin: METLIN68286
ChEMBL: CHEMBL471270
LipidMAPS: LMPK15050007
KNApSAcK: C00002842
foodb: FDB020696
chemspider: 149914
CAS: 56005-10-8
PMhub: MS000021592
PubChem: 12559
3DMET: B03786
NIKKAJI: J638.074C
RefMet: 5-O-Methylembelin
medchemexpress: HY-W510159

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)

19 个相关的物种来源信息

5691 Trypanosoma brucei: 10.1371/JOURNAL.PNTD.0001618
7461 Apis cerana: 10.1371/JOURNAL.PONE.0175573
59970 Aegiceras corniculatum:
3847 Glycine max: 10.1002/PMIC.201700366
2595069 Embelia schimperi: 10.1002/1099-1573(200011)14:7<510::AID-PTR646>3.0.CO;2-B
59982 Myrsine africana:
28974 Averrhoa carambola: 10.1016/J.CCLET.2010.03.031
213289 Lysimachia punctata: 10.1016/J.FITOTE.2005.02.006
459629 Embelia ribes: 10.1007/S10529-006-9243-Z
5691 Trypanosoma brucei: 10.1371/JOURNAL.PNTD.0001618
7461 Apis cerana: 10.1371/JOURNAL.PONE.0175573
59970 Aegiceras corniculatum:
3847 Glycine max: 10.1002/PMIC.201700366
2595069 Embelia schimperi: 10.1002/1099-1573(200011)14:7<510::AID-PTR646>3.0.CO;2-B
59982 Myrsine africana:
28974 Averrhoa carambola: 10.1016/J.CCLET.2010.03.031
213289 Lysimachia punctata: 10.1016/J.FITOTE.2005.02.006
459629 Embelia ribes: 10.1007/S10529-006-9243-Z
9606 Homo sapiens: -

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

Renata María Spina, Esteban Lozano, Patricia Andrea Barrera, María Belén Agüero, Alejandro Tapia, Gabriela Egly Feresin, Miguel Ángel Sosa. Antiproliferative effect and ultrastructural alterations induced by 5-O-methylembelin on Trypanosoma cruzi. Phytomedicine : international journal of phytotherapy and phytopharmacology. 2018 Jul; 46(?):111-118. doi: 10.1016/j.phymed.2018.04.032. [PMID: 30097111]
Fanglei Chen, Guiping Zhang, Zebin Hong, Zhonghui Lin, Min Lei, Mingdong Huang, Lihong Hu. Design, synthesis, and SAR of embelin analogues as the inhibitors of PAI-1 (plasminogen activator inhibitor-1). Bioorganic & medicinal chemistry letters. 2014 May; 24(10):2379-82. doi: 10.1016/j.bmcl.2014.03.045. [PMID: 24731276]
Minjuan Xu, Zhiwei Deng, Min Li, Jun Li, Hongzheng Fu, Peter Proksch, Wenhan Lin. Chemical constituents from the mangrove plant, Aegiceras corniculatum. Journal of natural products. 2004 May; 67(5):762-6. doi: 10.1021/np030477z. [PMID: 15165134]
E Gomez, O de la Cruz-Giron, A A de la Cruz, B S Joshi, V Chittawong, D H Miles. Toxicants from mangrove plants, V. Isolation of the piscicide, 2-hydroxy-5-methoxy-3-undecyl-1,4 benzoquinone (5-O-methylembelin) from Aegiceras corniculatum. Journal of natural products. 1989 May; 52(3):649-51. doi: 10.1021/np50063a031. [PMID: 2778454]