4-Hydroxy-3-(3-methyl-2-butenyl)acetophenone (BioDeep_00000003748)

human metabolite Endogenous Volatile Flavor Compounds natural product

代谢物信息卡片

1-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]ethan-1-one

化学式: C13H16O2 (204.1150236)
中文名称: 4-羟基-3-（3-甲基-2-丁烯基）苯乙酮
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: c1cc(c(cc1C(=O)C)CC=C(C)C)O
InChI: InChI=1S/C13H16O2/c1-9(2)4-5-12-8-11(10(3)14)6-7-13(12)15/h4,6-8,15H,5H2,1-3H3

描述信息

4-Hydroxy-3-(3-methyl-2-butenyl)acetophenone is found in root vegetables. 4-Hydroxy-3-(3-methyl-2-butenyl)acetophenone is a constituent of roots of Polymnia sonchifolia (yacon)

同义名列表

13 个代谢物同义名

1-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]ethan-1-one; 1-[4-Hydroxy-3-(3-methyl-2-butenyl)phenyl]ethanone, 9ci; 1-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]ethanone; 4-hydroxy-3-(3-methyl-2-butenyl)acetophenone; 4-HYDROXY-3,5-dimethyl-acetophenone; 4-Hydroxy-3,5-dimethylacetophenone; 4-Hydroxy-3-prenylacetophenone; 4-Hydroxy-3-phenylacetophenone; 3-PRENYL-4-HYDROXYACETOPHENONE; 4-Acetyl-2-prenylphenol; 4-H-3-(MB)AP; 4'-Hydroxy-3'-prenylacetophenone; 4-Hydroxy-3-(3-methyl-2-butenyl)acetophenone

数据库引用编号

16 个数据库交叉引用编号

KEGG: C10702
PubChem: 442916
HMDB: HMDB0030770
Metlin: METLIN43938
ChEMBL: CHEMBL500601
KNApSAcK: C00002699
foodb: FDB002705
chemspider: 391219
CAS: 26932-05-8
CAS: 35816-89-8
PMhub: MS000011242
ChEBI: CHEBI:228382
PubChem: 12885
3DMET: B04074
NIKKAJI: J294.470G
LOTUS: LTS0034284

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)

43 个相关的物种来源信息

4219 - Artemisia: LTS0034284
72348 - Artemisia monosperma: 10.1016/0031-9422(90)85231-4
72348 - Artemisia monosperma: LTS0034284
4210 - Asteraceae: LTS0034284
41487 - Baccharis: LTS0034284
2759 - Eukaryota: LTS0034284
71051 - Haplopappus: LTS0034284
53581 - Helianthella: LTS0034284
230213 - Helianthella uniflora: 10.1002/CBER.19701030115
230213 - Helianthella uniflora: LTS0034284
59430 - Helichrysum: LTS0034284
261786 - Helichrysum italicum: 10.1021/NP010125X
261786 - Helichrysum italicum: LTS0034284
261805 - Helichrysum stoechas: 10.1016/S0031-9422(00)90048-7
261805 - Helichrysum stoechas: LTS0034284
9606 - Homo sapiens: -
71058 - Isocoma: LTS0034284
382010 - Isocoma tenuisecta: 10.1016/0031-9422(79)80205-8
382010 - Isocoma tenuisecta: LTS0034284
3398 - Magnoliopsida: LTS0034284
1745122 - Ophryosporus: LTS0034284
183069 - Polymnia: LTS0034284
25473 - Rubia: LTS0034284
1650721 - Rubia yunnanensis: 10.1021/NP2002918
1650721 - Rubia yunnanensis: LTS0034284
24966 - Rubiaceae: LTS0034284
18794 - Senecio: LTS0034284
121548 - Senecio leucanthemifolius: 10.1016/S0031-9422(00)86705-9
121548 - Senecio leucanthemifolius: LTS0034284
2841769 - Senecio nutans: 10.1016/S0031-9422(00)81074-2
2841769 - Senecio nutans: LTS0034284
176612 - Smallanthus: LTS0034284
185192 - Smallanthus connatus: 10.1016/S0031-9422(96)00420-7
185202 - Smallanthus sonchifolius: 10.1016/S0031-9422(96)00420-7
185202 - Smallanthus sonchifolius: LTS0034284
55669 - Stevia: LTS0034284
558461 - Stevia eupatoria: 10.1016/0031-9422(91)83756-B
558461 - Stevia eupatoria: LTS0034284
558495 - Stevia ovata: 10.1016/0031-9422(91)83756-B
558495 - Stevia ovata: LTS0034284
35493 - Streptophyta: LTS0034284
58023 - Tracheophyta: LTS0034284
33090 - Viridiplantae: LTS0034284

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

Araceli Sala, M Carmen Recio, Guillermo R Schinella, Salvador Máñez, Rosa M Giner, José-Luis Ríos. A new dual inhibitor of arachidonate metabolism isolated from Helichrysum italicum. European journal of pharmacology. 2003 Jan; 460(2-3):219-26. doi: 10.1016/s0014-2999(02)02954-0. [PMID: 12559384]
A Sala, M C Recio, R M Giner, S Máñez, J L Ríos. New acetophenone glucosides isolated from extracts of Helichrysum italicum with antiinflammatory activity. Journal of natural products. 2001 Oct; 64(10):1360-2. doi: 10.1021/np010125x. [PMID: 11678669]