5,6-Dihydro-5-hydroxy-6-methyl-2H-pyran-2-one (BioDeep_00000000049)

 

Secondary id: BioDeep_00000266975, BioDeep_00000859497

human metabolite PANOMIX_OTCML-2023


代谢物信息卡片


2H-Pyran-2-one, 4-methoxy-6-(2-phenylethenyl)-, (E)- (9CI)

化学式: C14H12O3 (228.0786)
中文名称: 去甲氧基醉椒素
谱图信息: 最多检出来源 Viridiplantae(otcml) 14.58%

分子结构信息

SMILES: c1cccc(c1)/C=C/c1oc(=O)cc(c1)OC
InChI: InChI=1S/C14H12O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-10H,1H3/b8-7+

描述信息

5,6-Dehydrokawain is an aromatic ether and a member of 2-pyranones.
Desmethoxyyangonin is a natural product found in Alpinia blepharocalyx, Alpinia rafflesiana, and other organisms with data available.
See also: Piper methysticum root (part of).
5,6-Dihydro-5-hydroxy-6-methyl-2H-pyran-2-one is found in beverages. 5,6-Dihydro-5-hydroxy-6-methyl-2H-pyran-2-one is found in kava (Piper methysticum). FDA advises against use of kava in food due to potential risk of severe liver damag
Found in kava (Piper methysticum). FDA advises against use of kava in food due to potential risk of severe liver damage
Desmethoxyyangonin is one of the six major kavalactones found in the Piper methysticum (kava) plant; reversible inhibitor of MAO-B.
Desmethoxyyangonin is one of the six major kavalactones found in the Piper methysticum (kava) plant; reversible inhibitor of MAO-B.

同义名列表

38 个代谢物同义名

2H-Pyran-2-one, 4-methoxy-6-(2-phenylethenyl)-, (E)- (9CI); 2H-Pyran-2-one, 4-methoxy-6-(2-phenylethenyl)-, (E)-; 2H-PYRAN-2-ONE, 4-METHOXY-6-((1E)-2-PHENYLETHENYL)-; 2H-Pyran-2-one, 4-methoxy-6-[(1E)-2-phenylethenyl]-; 2H-Pyran-2-one, 4-methoxy-6-[(E)-2-phenylethenyl]-; 4-Methoxy-6-[(1E)-2-phenylethenyl]-2H-pyran-2-one; 4-Methoxy-6-(2-phenylethenyl)-(E)-2H-Pyran-2-one; 4-methoxy-6-[(E)-2-phenylethenyl]-2H-pyran-2-one; (E)-4-Methoxy-6-(2-phenylethenyl)-2H-pyran-2-one; 2H-Pyran-2-one, 4-methoxy-6-(2-phenylethenyl)-; 4-methoxy-6-[(E)-2-phenylvinyl]-2H-pyran-2-one; 5,6-Dihydro-5-hydroxy-6-methyl-2H-pyran-2-one; 4-methoxy-6-(2-phenylethenyl)-2h-pyran-2-one; 4-methoxy-6-[(E)-2-phenylethenyl]pyran-2-one; 2H-Pyran-2-one, 4-methoxy-6-styryl-, (E)-; Desmethoxyyangonin, analytical standard; 4-Methoxy-6-styryl-(E)-2H-Pyran-2-one; (E)-4-Methoxy-6-styryl-2H-pyran-2-one; 4-methoxy-6-[(E)-styryl]pyran-2-one; 4-Methoxy-6-styryl-2H-pyran-2-one; 5,6-Dehydrokawain, (e)-isomer; DKKJNZYHGRUXBS-BQYQJAHWSA-N; trans-5,6-Dehydrokawain; Yangonin, demethoxy-; Desmethoxy Yangonin; Desmethoxyyangonin; Demethoxyyangonin; 5,6-Dehydrokavain; 5,6-Dehydrokawain; 56-Dehydrokawain; 5,6-Dehydrokawin; 56-Dehydrokawin; UNII-F2MBQ8QRUN; Tox21_200296; F2MBQ8QRUN; DMY; 5,6-Dehydrokawain; Desmethoxyyangonin



数据库引用编号

24 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)

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。

亚细胞结构定位 关联基因列表
Cytoplasm 14 CASP3, CES1, CYP2C9, CYP3A4, DLX5, JAK2, MAPK14, PAK1, RUNX2, SP7, STAT3, TNFSF11, TYR, VEGFA
Peripheral membrane protein 3 CYP1B1, JAK2, PAK1
Endoplasmic reticulum membrane 4 CYP1A2, CYP1B1, CYP2C9, CYP3A4
Mitochondrion membrane 1 MAOA
Nucleus 11 CASP3, CES1, DLX5, JAK2, MAPK14, NR1I2, PAK1, RUNX2, SP7, STAT3, VEGFA
cytosol 8 CASP3, CES1, JAK2, MAOA, MAPK14, PAK1, RUNX2, STAT3
dendrite 1 PAK1
nuclear body 1 NR1I2
centrosome 1 PAK1
nucleoplasm 7 CASP3, JAK2, MAPK14, NR1I2, PAK1, RUNX2, STAT3
RNA polymerase II transcription regulator complex 1 STAT3
Cell membrane 3 ABCC1, PAK1, TNFSF11
Cytoplasmic side 1 MAOA
Cleavage furrow 1 PAK1
lamellipodium 1 PAK1
ruffle membrane 1 PAK1
Multi-pass membrane protein 1 ABCC1
cell surface 1 VEGFA
glutamatergic synapse 3 CASP3, JAK2, MAPK14
Golgi apparatus 1 VEGFA
neuronal cell body 1 CASP3
postsynapse 1 JAK2
Lysosome 1 TYR
endosome 1 PAK1
plasma membrane 6 ABCC1, CYP2C9, JAK2, PAK1, STAT3, TNFSF11
Membrane 7 ABCC1, CYP1B1, CYP3A4, JAK2, MAOA, TNFSF11, VEGFA
apical plasma membrane 1 ABCC1
axon 1 PAK1
basolateral plasma membrane 1 ABCC1
caveola 1 JAK2
extracellular exosome 2 ABCC1, BMP3
endoplasmic reticulum 2 CES1, VEGFA
extracellular space 3 BMP3, TNFSF11, VEGFA
perinuclear region of cytoplasm 1 TYR
adherens junction 1 VEGFA
intercalated disc 1 PAK1
mitochondrion 3 CYP1B1, MAOA, MAPK14
protein-containing complex 1 PAK1
intracellular membrane-bounded organelle 5 CYP1A2, CYP1B1, CYP2C9, CYP3A4, TYR
Microsome membrane 4 CYP1A2, CYP1B1, CYP2C9, CYP3A4
postsynaptic density 1 CASP3
Single-pass type I membrane protein 1 TYR
Secreted 3 BMP3, TNFSF11, VEGFA
extracellular region 4 BMP3, MAPK14, TNFSF11, VEGFA
cytoplasmic side of plasma membrane 1 JAK2
Mitochondrion outer membrane 1 MAOA
Single-pass membrane protein 1 MAOA
mitochondrial outer membrane 1 MAOA
transcription regulator complex 3 NR1I2, RUNX2, STAT3
Cytoplasm, cytoskeleton, microtubule organizing center, centrosome 1 PAK1
nuclear membrane 1 PAK1
Secreted, extracellular space, extracellular matrix 1 VEGFA
Z disc 1 PAK1
Melanosome membrane 1 TYR
midbody 1 PAK1
cell-cell junction 1 PAK1
Golgi-associated vesicle 1 TYR
Single-pass type II membrane protein 1 TNFSF11
Cell projection, lamellipodium 1 PAK1
Cell projection, ruffle membrane 1 PAK1
Membrane raft 1 JAK2
Cell junction, focal adhesion 1 PAK1
focal adhesion 2 JAK2, PAK1
extracellular matrix 1 VEGFA
secretory granule 1 VEGFA
lateral plasma membrane 1 ABCC1
nuclear speck 1 MAPK14
ruffle 1 PAK1
chromatin 5 DLX5, NR1I2, RUNX2, SP7, STAT3
Chromosome 1 PAK1
cytoskeleton 1 JAK2
spindle pole 1 MAPK14
actin filament 1 PAK1
Endomembrane system 1 JAK2
endosome lumen 1 JAK2
Lipid droplet 1 CES1
Nucleus, nucleoplasm 1 PAK1
Melanosome 1 TYR
euchromatin 1 JAK2
intermediate filament cytoskeleton 1 NR1I2
basal plasma membrane 1 ABCC1
ficolin-1-rich granule lumen 1 MAPK14
secretory granule lumen 1 MAPK14
endoplasmic reticulum lumen 1 CES1
platelet alpha granule lumen 1 VEGFA
Single-pass type IV membrane protein 1 MAOA
[Isoform 2]: Cytoplasm 1 TNFSF11
[Tumor necrosis factor ligand superfamily member 11, soluble form]: Secreted 1 TNFSF11
extrinsic component of cytoplasmic side of plasma membrane 1 JAK2
death-inducing signaling complex 1 CASP3
extrinsic component of plasma membrane 1 JAK2
granulocyte macrophage colony-stimulating factor receptor complex 1 JAK2
interleukin-12 receptor complex 1 JAK2
interleukin-23 receptor complex 1 JAK2
[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
Cell projection, invadopodium 1 PAK1


文献列表

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  • Philip W Melchert, Yuli Qian, Qingchen Zhang, Brandon O Klee, Chengguo Xing, John S Markowitz. In vitro inhibition of carboxylesterase 1 by Kava (Piper methysticum) Kavalactones. Chemico-biological interactions. 2022 Apr; 357(?):109883. doi: 10.1016/j.cbi.2022.109883. [PMID: 35278473]
  • Elina Karhu, Janne Isojärvi, Pia Vuorela, Leena Hanski, Adyary Fallarero. Identification of Privileged Antichlamydial Natural Products by a Ligand-Based Strategy. Journal of natural products. 2017 10; 80(10):2602-2608. doi: 10.1021/acs.jnatprod.6b01052. [PMID: 29043803]
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