Propiovanillone (BioDeep_00000227541)

human metabolite natural product

代谢物信息卡片

1-(4-hydroxy-3-methoxyphenyl)propan-1-one

化学式: C10H12O3 (180.0786)
中文名称: 3-甲氧基-4-羟基苯丙酮, 1-（4-羟基-3-甲氧基苯基）丙-1-酮
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CCC(=O)C1=CC(=C(C=C1)O)OC
InChI: InChI=1S/C10H12O3/c1-3-8(11)7-4-5-9(12)10(6-7)13-2/h4-6,12H,3H2,1-2H3

描述信息

Propiovanillone is a member of the class of compounds known as alkyl-phenylketones. Alkyl-phenylketones are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. Propiovanillone is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Propiovanillone can be found in sunflower, which makes propiovanillone a potential biomarker for the consumption of this food product.

同义名列表

4 个代谢物同义名

1-(4-hydroxy-3-methoxyphenyl)propan-1-one; 3-Methoxy-4-hydroxypropiophenone; Propiovanillone; 1-(4-Hydroxy-3-methoxyphenyl)propan-1-one

数据库引用编号

7 个数据库交叉引用编号

PubChem: 15782
HMDB: HMDB0302681
ChEMBL: CHEMBL452723
foodb: FDB005737
chemspider: 15007
CAS: 1835-14-9
LOTUS: LTS0010139

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)

24 个相关的物种来源信息

4185 - Acanthaceae: LTS0010139
4210 - Asteraceae: LTS0010139
2759 - Eukaryota: LTS0010139
4231 - Helianthus: LTS0010139
4232 - Helianthus annuus: 10.1021/JF00123A021
4232 - Helianthus annuus: LTS0010139
9606 - Homo sapiens: -
4447 - Liliopsida: LTS0010139
3398 - Magnoliopsida: LTS0010139
382034 - Parastrephia: LTS0010139
382035 - Parastrephia lepidophylla: 10.1016/0031-9422(79)83037-X
382035 - Parastrephia lepidophylla: LTS0010139
382038 - Parastrephia quadrangularis: 10.1016/0031-9422(79)83037-X
382038 - Parastrephia quadrangularis: LTS0010139
15747 - Phyllostachys: LTS0010139
38705 - Phyllostachys edulis: 10.1016/S0031-9422(03)00422-9
38705 - Phyllostachys edulis: LTS0010139
4479 - Poaceae: LTS0010139
141328 - Rhinacanthus: LTS0010139
537489 - Rhinacanthus nasutus: 10.1016/0031-9422(95)00427-9
537489 - Rhinacanthus nasutus: LTS0010139
35493 - Streptophyta: LTS0010139
58023 - Tracheophyta: LTS0010139
33090 - Viridiplantae: LTS0010139

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

文献列表

Yong Zhao, Chang-An Geng, Chang-Li Sun, Yun-Bao Ma, Xiao-Yan Huang, Tuan-Wu Cao, Kang He, Hao Wang, Xue-Mei Zhang, Ji-Jun Chen. Polyacetylenes and anti-hepatitis B virus active constituents from Artemisia capillaris. Fitoterapia. 2014 Jun; 95(?):187-93. doi: 10.1016/j.fitote.2014.03.017. [PMID: 24685503]
J Ito, F R Chang, H K Wang, Y K Park, M Ikegaki, N Kilgore, K H Lee. Anti-AIDS agents. 48.(1) Anti-HIV activity of moronic acid derivatives and the new melliferone-related triterpenoid isolated from Brazilian propolis. Journal of natural products. 2001 Oct; 64(10):1278-81. doi: 10.1021/np010211x. [PMID: 11678650]