3-Methylcatechol (BioDeep_00000003207)

 

Secondary id: BioDeep_00000406090, BioDeep_00000868279

human metabolite PANOMIX_OTCML-2023 natural product


代谢物信息卡片


3-methylbenzene-1,2-diol

化学式: C7H8O2 (124.0524)
中文名称: 3-甲基邻苯二酚, 3-甲基苯邻二酚
谱图信息: 最多检出来源 Homo sapiens(plant) 12.66%

分子结构信息

SMILES: CC1=C(C(=CC=C1)O)O
InChI: InChI=1S/C7H8O2/c1-5-3-2-4-6(8)7(5)9/h2-4,8-9H,1H3

描述信息

3-methylcatechol, also known as 2,3-dihydroxytoluene or 2,3-toluenediol, is a member of the class of compounds known as catechols. Catechols are compounds containing a 1,2-benzenediol moiety. 3-methylcatechol is soluble (in water) and a very weakly acidic compound (based on its pKa). 3-methylcatechol can be found in arabica coffee, beer, cocoa powder, and coffee, which makes 3-methylcatechol a potential biomarker for the consumption of these food products. 3-methylcatechol is a chemical compound .
3-Methylcatechol is a building block in the chemical synthesis produced by Pseudomonas putida MC2[1].
3-Methylcatechol is a building block in the chemical synthesis produced by Pseudomonas putida MC2[1].

同义名列表

6 个代谢物同义名

3-methylbenzene-1,2-diol; 2,3-Dihydroxytoluene; 3-methylcatechol; 2,3-Toluenediol; 2,3-Dihydroxytoluene; 3-Methylcatechol



数据库引用编号

20 个数据库交叉引用编号

分类词条

相关代谢途径

Reactome(0)

BioCyc(1)

PlantCyc(0)

代谢反应

7 个相关的代谢反应过程信息。

Reactome(0)

BioCyc(7)

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(0)

COVID-19 Disease Map(0)

PathBank(0)

PharmGKB(0)

17 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。

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 6 BTK, CAT, MAPK14, MT4, NFKB1, PDK1
Peripheral membrane protein 4 BTK, FDXR, GORASP1, HSD17B6
Nucleus 6 BTK, MAPK14, MT4, NFKB1, PDK1, TGM2
cytosol 8 BTK, CAT, CLC, MAPK14, MYL4, NFKB1, PDK1, TGM2
phagocytic vesicle 1 STX8
trans-Golgi network 1 STX8
nucleoplasm 2 MAPK14, NFKB1
Cell membrane 3 BTK, TGM2, TNF
Cytoplasmic side 1 GORASP1
Cytoplasmic granule 1 CLC
Early endosome membrane 1 HSD17B6
Multi-pass membrane protein 1 MPC1
Golgi apparatus membrane 1 GORASP1
cell surface 1 TNF
glutamatergic synapse 1 MAPK14
Golgi apparatus 1 GORASP1
Golgi membrane 1 GORASP1
mitochondrial inner membrane 2 FDXR, MPC1
neuronal cell body 1 TNF
Cytoplasm, cytosol 2 CLC, TGM2
endosome 1 STX8
plasma membrane 6 BTK, F2, PDK1, STX8, TGM2, TNF
Membrane 2 CAT, STX8
extracellular exosome 4 CAT, F2, SPINK1, TGM2
Lumenal side 1 HSD17B6
endoplasmic reticulum 3 HSD17B6, STX8, TGM2
extracellular space 3 CLC, F2, TNF
perinuclear region of cytoplasm 3 BTK, STX8, TGM2
mitochondrion 7 CAT, FDXR, MAPK14, MPC1, NFKB1, PDK1, TGM2
protein-containing complex 1 CAT
intracellular membrane-bounded organelle 2 CAT, HSD17B6
Microsome membrane 1 HSD17B6
postsynaptic density 1 PDK1
Secreted 3 CLC, F2, SPINK1
extracellular region 6 CAT, CLC, F2, MAPK14, NFKB1, TNF
Single-pass membrane protein 1 STX8
Mitochondrion matrix 1 PDK1
mitochondrial matrix 3 CAT, FDXR, PDK1
transcription regulator complex 1 NFKB1
external side of plasma membrane 1 TNF
Secreted, extracellular space, extracellular matrix 1 TGM2
cytoplasmic vesicle 2 BTK, PDK1
Early endosome 1 STX8
recycling endosome 2 STX8, TNF
Single-pass type II membrane protein 1 TNF
vesicle 1 STX8
Mitochondrion inner membrane 2 FDXR, MPC1
Membrane raft 2 BTK, TNF
focal adhesion 3 CAT, PDK1, TGM2
cis-Golgi network 1 GORASP1
extracellular matrix 1 TGM2
Peroxisome 1 CAT
Peroxisome matrix 1 CAT
peroxisomal matrix 1 CAT
peroxisomal membrane 1 CAT
collagen-containing extracellular matrix 3 CLC, F2, TGM2
nuclear speck 1 MAPK14
Late endosome 1 STX8
chromatin 2 NFKB1, TGM2
cell projection 1 PDK1
phagocytic cup 1 TNF
Chromosome 1 TGM2
spindle pole 1 MAPK14
blood microparticle 1 F2
myosin II complex 1 MYL4
Endomembrane system 1 STX8
SNARE complex 1 STX8
ficolin-1-rich granule lumen 2 CAT, MAPK14
secretory granule lumen 3 CAT, MAPK14, NFKB1
Golgi lumen 1 F2
endoplasmic reticulum lumen 1 F2
pyruvate dehydrogenase complex 1 PDK1
specific granule lumen 1 NFKB1
Endoplasmic reticulum-Golgi intermediate compartment membrane 1 GORASP1
Golgi apparatus, cis-Golgi network membrane 1 GORASP1
Single-pass type IV membrane protein 1 STX8
A band 1 MYL4
nucleosome 1 TGM2
CRLF-CLCF1 complex 1 CLC
inner mitochondrial membrane protein complex 1 MPC1
[Tumor necrosis factor, soluble form]: Secreted 1 TNF
catalase complex 1 CAT
[Isoform 2]: Cytoplasm, perinuclear region 1 TGM2
[Nuclear factor NF-kappa-B p105 subunit]: Cytoplasm 1 NFKB1
[Nuclear factor NF-kappa-B p50 subunit]: Nucleus 1 NFKB1
I-kappaB/NF-kappaB complex 1 NFKB1
NF-kappaB p50/p65 complex 1 NFKB1
CNTFR-CLCF1 complex 1 CLC
[C-domain 2]: Secreted 1 TNF
[Tumor necrosis factor, membrane form]: Membrane 1 TNF
[C-domain 1]: Secreted 1 TNF


文献列表

  • Yunbao Liu, Muraleedharan G Nair. An efficient and economical MTT assay for determining the antioxidant activity of plant natural product extracts and pure compounds. Journal of natural products. 2010 Jul; 73(7):1193-5. doi: 10.1021/np1000945. [PMID: 20565070]
  • Bastian Omokoko, Uwe K Jäntges, Martin Zimmermann, Monika Reiss, Winfried Hartmeier. Isolation of the phe-operon from G. stearothermophilus comprising the phenol degradative meta-pathway genes and a novel transcriptional regulator. BMC microbiology. 2008 Nov; 8(?):197. doi: 10.1186/1471-2180-8-197. [PMID: 19014555]
  • Sonja Veljovic-Jovanovic, Biljana Kukavica, Flavia Navari-Izzo. Characterization of polyphenol oxidase changes induced by desiccation of Ramonda serbica leaves. Physiologia plantarum. 2008 Apr; 132(4):407-16. doi: 10.1111/j.1399-3054.2007.01040.x. [PMID: 18248509]
  • Roman Lang, Christoph Mueller, Thomas Hofmann. Development of a stable isotope dilution analysis with liquid chromatography-tandem mass spectrometry detection for the quantitative analysis of di- and trihydroxybenzenes in foods and model systems. Journal of agricultural and food chemistry. 2006 Aug; 54(16):5755-62. doi: 10.1021/jf061118n. [PMID: 16881674]
  • Takashi Hatta, Gouri Mukerjee-Dhar, Jiri Damborsky, Hohzoh Kiyohara, Kazuhide Kimbara. Characterization of a novel thermostable Mn(II)-dependent 2,3-dihydroxybiphenyl 1,2-dioxygenase from a polychlorinated biphenyl- and naphthalene-degrading Bacillus sp. JF8. The Journal of biological chemistry. 2003 Jun; 278(24):21483-92. doi: 10.1074/jbc.m210240200. [PMID: 12672826]