Isoimperatorin (BioDeep_00000000010)

 

Secondary id: BioDeep_00000017212, BioDeep_00000406550

human metabolite PANOMIX_OTCML-2023 blood metabolite natural product


代谢物信息卡片


7,4-[(3-methyl-2-butenyl)oxy]-7H-furo[3,2-g]-1-benzopyran-7-one

化学式: C16H14O4 (270.0892)
中文名称: 异欧前胡素
谱图信息: 最多检出来源 Viridiplantae(plant) 58.97%

分子结构信息

SMILES: CC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C
InChI: InChI=1S/C16H14O4/c1-10(2)5-7-19-16-11-3-4-15(17)20-14(11)9-13-12(16)6-8-18-13/h3-6,8-9H,7H2,1-2H3

描述信息

Isoimperatorin is a member of the class of compounds known as psoralens. Psoralens are organic compounds containing a psoralen moiety, which consists of a furan fused to a chromenone to for 7H-furo[3,2-g]chromen-7-one. Isoimperatorin is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Isoimperatorin can be found in a number of food items such as parsley, lime, wild celery, and parsnip, which makes isoimperatorin a potential biomarker for the consumption of these food products. Isoimperatorin is a non-carcinogenic (not listed by IARC) potentially toxic compound. If the compound has been ingested, rapid gastric lavage should be performed using 5\\\\% sodium bicarbonate. For skin contact, the skin should be washed with soap and water. If the compound has entered the eyes, they should be washed with large quantities of isotonic saline or water. In serious cases, atropine and/or pralidoxime should be administered. Anti-cholinergic drugs work to counteract the effects of excess acetylcholine and reactivate AChE. Atropine can be used as an antidote in conjunction with pralidoxime or other pyridinium oximes (such as trimedoxime or obidoxime), though the use of -oximes has been found to be of no benefit, or possibly harmful, in at least two meta-analyses. Atropine is a muscarinic antagonist, and thus blocks the action of acetylcholine peripherally (T3DB).
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins
Isoimperatorin is a methanolic extract of the roots of Angelica dahurica shows significant inhibitory effects on acetylcholinesterase (AChE) with the IC50 of 74.6 μM.
Isoimperatorin is a methanolic extract of the roots of Angelica dahurica shows significant inhibitory effects on acetylcholinesterase (AChE) with the IC50 of 74.6 μM.

同义名列表

6 个代谢物同义名

7,4-[(3-methyl-2-butenyl)oxy]-7H-furo[3,2-g]-1-benzopyran-7-one; 4-[(3-methylbut-2-en-1-yl)oxy]-7h-furo[3,2-g]chromen-7-one; 4-[(3-methylbut-2-en-1-yl)oxy]furo[3,2-g]chromen-7-one; iso-imperatorin; Isoimperatorin; Isoimperatorin



数据库引用编号

16 个数据库交叉引用编号

分类词条

相关代谢途径

Reactome(0)

BioCyc(0)

PlantCyc(0)

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)

316 个相关的物种来源信息

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。

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亚细胞结构定位 关联基因列表
Cytoplasm 12 ALOX5, BCL2, CASP3, CAT, CYP1A1, IL13, MAPK14, NFE2L2, PRPF19, PTGS2, TYR, VEGFA
Peripheral membrane protein 5 ALOX5, CYP1A1, CYP1B1, GORASP1, PTGS2
Endoplasmic reticulum membrane 5 BCL2, CYP1A1, CYP1A2, CYP1B1, PTGS2
Nucleus 6 BCL2, CASP3, MAPK14, NFE2L2, PRPF19, VEGFA
cytosol 7 ALOX5, BCL2, CASP3, CAT, DIABLO, MAPK14, NFE2L2
centrosome 1 NFE2L2
nucleoplasm 5 ALOX5, CASP3, MAPK14, NFE2L2, PRPF19
RNA polymerase II transcription regulator complex 1 NFE2L2
Cell membrane 1 TNF
Cytoplasmic side 1 GORASP1
Golgi apparatus membrane 1 GORASP1
cell surface 2 TNF, VEGFA
glutamatergic synapse 2 CASP3, MAPK14
Golgi apparatus 3 GORASP1, NFE2L2, VEGFA
Golgi membrane 2 GORASP1, INS
mitochondrial inner membrane 1 CYP1A1
neuronal cell body 2 CASP3, TNF
Cytoplasm, cytosol 3 ALOX5, DIABLO, NFE2L2
Lysosome 1 TYR
plasma membrane 2 NFE2L2, TNF
Membrane 6 BCL2, CAT, CYP1B1, DIABLO, PRPF19, VEGFA
caveola 1 PTGS2
extracellular exosome 1 CAT
endoplasmic reticulum 3 BCL2, PTGS2, VEGFA
extracellular space 7 ALOX5, IL13, IL5, IL6, INS, TNF, VEGFA
perinuclear region of cytoplasm 2 ALOX5, TYR
adherens junction 1 VEGFA
mitochondrion 6 BCL2, CAT, CYP1A1, CYP1B1, DIABLO, MAPK14
protein-containing complex 3 BCL2, CAT, PTGS2
intracellular membrane-bounded organelle 5 CAT, CYP1A1, CYP1A2, CYP1B1, TYR
Microsome membrane 4 CYP1A1, CYP1A2, CYP1B1, PTGS2
postsynaptic density 1 CASP3
Single-pass type I membrane protein 1 TYR
Secreted 5 IL13, IL5, IL6, INS, VEGFA
extracellular region 9 ALOX5, CAT, IL13, IL5, IL6, INS, MAPK14, TNF, VEGFA
cytoplasmic side of plasma membrane 1 DIABLO
Mitochondrion outer membrane 1 BCL2
Single-pass membrane protein 1 BCL2
mitochondrial outer membrane 1 BCL2
mitochondrial matrix 1 CAT
Nucleus membrane 2 ALOX5, BCL2
Bcl-2 family protein complex 1 BCL2
nuclear membrane 2 ALOX5, BCL2
CD40 receptor complex 1 DIABLO
external side of plasma membrane 2 IL13, TNF
Secreted, extracellular space, extracellular matrix 1 VEGFA
Melanosome membrane 1 TYR
Golgi-associated vesicle 1 TYR
recycling endosome 1 TNF
Single-pass type II membrane protein 1 TNF
Cytoplasm, perinuclear region 1 ALOX5
Mitochondrion inner membrane 1 CYP1A1
Membrane raft 1 TNF
pore complex 1 BCL2
Cytoplasm, cytoskeleton, spindle 1 PRPF19
focal adhesion 1 CAT
spindle 1 PRPF19
cis-Golgi network 1 GORASP1
extracellular matrix 1 VEGFA
Peroxisome 1 CAT
Peroxisome matrix 1 CAT
peroxisomal matrix 1 CAT
peroxisomal membrane 1 CAT
mitochondrial intermembrane space 1 DIABLO
secretory granule 1 VEGFA
nuclear speck 2 MAPK14, PRPF19
Nucleus inner membrane 1 PTGS2
Nucleus outer membrane 1 PTGS2
nuclear inner membrane 1 PTGS2
nuclear outer membrane 1 PTGS2
neuron projection 1 PTGS2
chromatin 1 NFE2L2
mediator complex 1 NFE2L2
phagocytic cup 1 TNF
spindle pole 1 MAPK14
spliceosomal complex 1 PRPF19
site of double-strand break 1 PRPF19
nuclear envelope 1 ALOX5
Nucleus envelope 1 ALOX5
endosome lumen 1 INS
Lipid droplet 1 PRPF19
Nucleus, nucleoplasm 1 PRPF19
Melanosome 1 TYR
myelin sheath 1 BCL2
ficolin-1-rich granule lumen 3 ALOX5, CAT, MAPK14
secretory granule lumen 4 ALOX5, CAT, INS, MAPK14
Golgi lumen 1 INS
endoplasmic reticulum lumen 3 IL6, INS, PTGS2
nuclear matrix 1 ALOX5
platelet alpha granule lumen 1 VEGFA
transport vesicle 1 INS
Endoplasmic reticulum-Golgi intermediate compartment membrane 2 GORASP1, INS
Golgi apparatus, cis-Golgi network membrane 1 GORASP1
Nucleus matrix 1 ALOX5
nuclear envelope lumen 1 ALOX5
U2-type catalytic step 1 spliceosome 1 PRPF19
protein-DNA complex 1 NFE2L2
death-inducing signaling complex 1 CASP3
catalytic step 2 spliceosome 1 PRPF19
Prp19 complex 1 PRPF19
U2-type catalytic step 2 spliceosome 1 PRPF19
[Tumor necrosis factor, soluble form]: Secreted 1 TNF
catalase complex 1 CAT
interleukin-6 receptor complex 1 IL6
Nucleus intermembrane space 1 ALOX5
BAD-BCL-2 complex 1 BCL2
[N-VEGF]: Cytoplasm 1 VEGFA
[VEGFA]: Secreted 1 VEGFA
[Isoform L-VEGF189]: Endoplasmic reticulum 1 VEGFA
[Isoform VEGF121]: Secreted 1 VEGFA
[Isoform VEGF165]: Secreted 1 VEGFA
VEGF-A complex 1 VEGFA
[C-domain 2]: Secreted 1 TNF
[Tumor necrosis factor, membrane form]: Membrane 1 TNF
[C-domain 1]: Secreted 1 TNF


文献列表

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  • Alice Nguvoko Kiyonga, Gyu Hwan Park, Hyun Su Kim, Young-Ger Suh, Tae Kon Kim, Kiwon Jung. An Efficient Ionic Liquid-Mediated Extraction and Enrichment of Isoimperatorin from Ostericum koreanum (Max.) Kitagawa. Molecules (Basel, Switzerland). 2021 Oct; 26(21):. doi: 10.3390/molecules26216555. [PMID: 34770966]
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