Aucaparin (BioDeep_00000007682)
Secondary id: BioDeep_00001868920
human metabolite
代谢物信息卡片
化学式: C14H14O3 (230.0943)
中文名称:
谱图信息:
最多检出来源 Viridiplantae(plant) 17.52%
分子结构信息
SMILES: COC1=CC(=CC(=C1O)OC)C2=CC=CC=C2
InChI: InChI=1S/C14H14O3/c1-16-12-8-11(9-13(17-2)14(12)15)10-6-4-3-5-7-10/h3-9,15H,1-2H3
描述信息
Aucuparin, also known as 3,5-dimethoxy-(1,1-biphenyl)-4-ol or 2,6-dimethoxy-4-phenylphenol, belongs to biphenyls and derivatives class of compounds. Those are organic compounds containing to benzene rings linked together by a C-C bond. Aucuparin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Aucuparin can be found in loquat and rowanberry, which makes aucuparin a potential biomarker for the consumption of these food products.
同义名列表
数据库引用编号
16 个数据库交叉引用编号
- ChEBI: CHEBI:2920
- KEGG: C09918
- PubChem: 442508
- HMDB: HMDB0302617
- Metlin: METLIN68010
- ChEMBL: CHEMBL1079777
- MetaCyc: CPD-14666
- KNApSAcK: C00002980
- foodb: FDB005401
- chemspider: 390934
- CAS: 3687-28-3
- PMhub: MS000021135
- PubChem: 12104
- 3DMET: B03377
- NIKKAJI: J346.811I
- KNApSAcK: 2920
分类词条
相关代谢途径
Reactome(0)
BioCyc(0)
PlantCyc(0)
代谢反应
6 个相关的代谢反应过程信息。
Reactome(0)
BioCyc(1)
- aucuparin biosynthesis:
H+ + benzoyl-CoA + malonyl-CoA ⟶ 3,5-dihydroxybiphenyl + CO2 + coenzyme A
WikiPathways(0)
Plant Reactome(0)
INOH(0)
PlantCyc(5)
- aucuparin biosynthesis:
H+ + benzoyl-CoA + malonyl-CoA ⟶ 3,5-dihydroxybiphenyl + CO2 + coenzyme A
- aucuparin biosynthesis:
3,5-dihydroxybiphenyl + SAM ⟶ 3-hydroxy-5-methoxybiphenyl + H+ + SAH
- aucuparin biosynthesis:
SAM + noraucuparin ⟶ H+ + SAH + aucuparin
- aucuparin biosynthesis:
SAM + noraucuparin ⟶ H+ + SAH + aucuparin
- aucuparin biosynthesis:
3,5-dihydroxybiphenyl + SAM ⟶ 3-hydroxy-5-methoxybiphenyl + H+ + SAH
COVID-19 Disease Map(0)
PathBank(0)
PharmGKB(0)
8 个相关的物种来源信息
- 211974 - Berberis koreana: 10.1021/NP900460J
- 280743 - Haploclathra paniculata: 10.1016/S0031-9422(00)84543-4
- 9606 - Homo sapiens: -
- 639202 - Kielmeyera coriacea: 10.1016/S0031-9422(97)00731-0
- 3750 - Malus domestica: 10.1016/S0031-9422(98)00509-3
- 283210 - Malus pumila: 10.1016/S0031-9422(98)00509-3
- 36599 - Sorbus aucuparia:
- 765745 - Sorbus decora: 10.1139/V62-170
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
- Deepa Teotia, Mariam Gaid, Shashank S Saini, Aparna Verma, Ragothaman M Yennamalli, Satyajeet P Khare, Kiran Ambatipudi, Javid Iqbal Mir, Till Beuerle, Robert Hänsch, Partha Roy, Pawan Kumar Agrawal, Ludger Beerhues, Debabrata Sircar. Cinnamate-CoA ligase is involved in biosynthesis of benzoate-derived biphenyl phytoalexin in Malus × domestica 'Golden Delicious' cell cultures.
The Plant journal : for cell and molecular biology.
2019 12; 100(6):1176-1192. doi:
10.1111/tpj.14506
. [PMID: 31437324] - Stefan Weiß, Benye Liu, Dennis Reckwell, Ludger Beerhues, Traud Winkelmann. Impaired defense reactions in apple replant disease-affected roots of Malus domestica 'M26'.
Tree physiology.
2017 12; 37(12):1672-1685. doi:
10.1093/treephys/tpx108
. [PMID: 29036594] - Debabrata Sircar, Mariam M Gaid, Cornelia Chizzali, Dennis Reckwell, David Kaufholdt, Till Beuerle, Giovanni A L Broggini, Henryk Flachowsky, Benye Liu, Robert Hänsch, Ludger Beerhues. Biphenyl 4-Hydroxylases Involved in Aucuparin Biosynthesis in Rowan and Apple Are Cytochrome P450 736A Proteins.
Plant physiology.
2015 Jun; 168(2):428-42. doi:
10.1104/pp.15.00074
. [PMID: 25862456] - Ki Hyun Kim, Sang Un Choi, Sang Keun Ha, Sun Yeou Kim, Kang Ro Lee. Biphenyls from Berberis koreana.
Journal of natural products.
2009 Nov; 72(11):2061-4. doi:
10.1021/np900460j
. [PMID: 19813743] - Jih-Jung Chen, Chien-Fang Peng, Hung-Yi Huang, Ih-Sheng Chen. Benzopyrans, biphenyls and xanthones from the root of Garcinia linii and their activity against Mycobacterium tuberculosis.
Planta medica.
2006 Apr; 72(5):473-7. doi:
10.1055/s-2005-916253
. [PMID: 16557464]