phlorisobutyrophenone (BioDeep_00000006486)

Secondary id: BioDeep_00001869008, BioDeep_00001893530

human metabolite

代谢物信息卡片

2-Methyl-1-(2,4,6-trihydroxyphenyl)propan-1-one

化学式: C10H12O4 (196.0735552)
中文名称:
谱图信息: 最多检出来源 Viridiplantae(plant) 0.06%

分子结构信息

SMILES: CC(C)C(=O)C1=C(C=C(C=C1O)O)O
InChI: InChI=1S/C10H12O4/c1-5(2)10(14)9-7(12)3-6(11)4-8(9)13/h3-5,11-13H,1-2H3

描述信息

Phlorisobutyrophenone, also known as 2-methyl-1-(2,4,6-trihydroxyphenyl)-1-propanone or 1-isobutanoyl-2,4,6-trihydroxybenzene, 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. Phlorisobutyrophenone is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Phlorisobutyrophenone can be found in a number of food items such as chickpea, common cabbage, angelica, and swamp cabbage, which makes phlorisobutyrophenone a potential biomarker for the consumption of these food products.

同义名列表

8 个代谢物同义名

2-Methyl-1-(2,4,6-trihydroxyphenyl)propan-1-one; 2-Methyl-1-(2,4,6-trihydroxyphenyl)-1-propanone; 1-Isobutanoyl-2,4,6-trihydroxybenzene; 1-Isobutyryl-2,4,6-trihydroxybenzene; 2-Isobutanoylphloroglucinol; Phlorisobutanophenone; Phlorisobutyrophenone; UTX-52

数据库引用编号

12 个数据库交叉引用编号

ChEBI: CHEBI:133419
KEGG: C07351
PubChem: 5326317
HMDB: HMDB0304461
Metlin: METLIN66633
ChEMBL: CHEMBL20038
MetaCyc: CPD-7104
foodb: FDB031107
chemspider: 4483791
CAS: 35458-21-0
PMhub: MS000019533
PubChem: 9558

分类词条

代谢反应

5 个相关的代谢反应过程信息。

Reactome(0)

BioCyc(3)

superpathway of bitter acids biosynthesis: DMAPP + phlorisovalerophenone ⟶ 4-prenylphlorisovalerophenone + H⁺ + diphosphate
hyperforin and adhyperforin biosynthesis: DMAPP + phlorisovalerophenone ⟶ 4-prenylphlorisovalerophenone + H⁺ + diphosphate
colupulone and cohumulone biosynthesis: DMAPP + phlorisobutanophenone ⟶ 4-prenylphlorisobutyrophenone + H⁺ + diphosphate

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(2)

superpathway of bitter acids biosynthesis: ATP + coenzyme A + isobutanoate ⟶ AMP + diphosphate + isobutanoyl-CoA
colupulone and cohumulone biosynthesis: ATP + coenzyme A + isobutanoate ⟶ AMP + diphosphate + isobutanoyl-CoA

COVID-19 Disease Map(0)

PathBank(0)

PharmGKB(0)

9 个相关的物种来源信息

7461 Apis cerana: 10.1371/JOURNAL.PONE.0175573
29747 Mallotus japonicus: 10.1248/CPB.38.698
3486 Humulus lupulus:
1136978 Hypericum gentianoides: 10.1111/PPL.12063
7461 Apis cerana: 10.1371/JOURNAL.PONE.0175573
29747 Mallotus japonicus: 10.1248/CPB.38.698
3486 Humulus lupulus:
1136978 Hypericum gentianoides: 10.1111/PPL.12063
9606 Homo sapiens: -

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

. . . . doi: . [PMID: 10336650]