(Z)-3-(2,4,5-Trimethoxyphenyl)-2-propenal (BioDeep_00000022475)

human metabolite natural product

代谢物信息卡片

(2Z)-3-(2,4,5-trimethoxyphenyl)prop-2-enal

化学式: C12H14O4 (222.0892044)
中文名称:
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: COC1=CC(=C(C=C1C=CC=O)OC)OC
InChI: InChI=1S/C12H14O4/c1-14-10-8-12(16-3)11(15-2)7-9(10)5-4-6-13/h4-8H,1-3H3/b5-4-

描述信息

(Z)-3-(2,4,5-Trimethoxyphenyl)-2-propenal is found in herbs and spices. (Z)-3-(2,4,5-Trimethoxyphenyl)-2-propenal is isolated from the rhizomes of Acorus calamus (sweet flag).
Isolated from the rhizomes of Acorus calamus (sweet flag). (Z)-3-(2,4,5-Trimethoxyphenyl)-2-propenal is found in herbs and spices and root vegetables.

同义名列表

3 个代谢物同义名

(2Z)-3-(2,4,5-trimethoxyphenyl)prop-2-enal; (Z)-3-(2,4,5-Trimethoxyphenyl)-2-propenal; 2,4,5-trimethoxy cinnamaldehyde

数据库引用编号

11 个数据库交叉引用编号

ChEBI: CHEBI:174139
PubChem: 46906714
PubChem: 54045441
HMDB: HMDB0038563
ChEMBL: CHEMBL1163242
KNApSAcK: C00036457
foodb: FDB017950
chemspider: 25028478
CAS: 99217-07-9
PMhub: MS000086933
LOTUS: LTS0035147

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)

18 个相关的物种来源信息

42228 - Acoraceae: LTS0035147
4464 - Acorus: LTS0035147
4465 - Acorus calamus:
4465 - Acorus calamus: 10.1016/S0031-9422(00)85528-4
4465 - Acorus calamus: LTS0035147
325552 - Acorus calamus var. angustatus: 10.1021/NP900793E
325552 - Acorus calamus var. angustatus: LTS0035147
299923 - Alpinia flabellata: 10.1016/S0031-9422(00)00360-5
2759 - Eukaryota: LTS0035147
9606 - Homo sapiens: -
4447 - Liliopsida: LTS0035147
3398 - Magnoliopsida: LTS0035147
511543 - Piper guineense: 10.1016/0031-9422(83)85040-7
35493 - Streptophyta: LTS0035147
58023 - Tracheophyta: LTS0035147
33090 - Viridiplantae: LTS0035147
336856 - Zingiber montanum: 10.1248/CPB.59.365
857215 - Zingiber purpureum: 10.1248/CPB.59.365

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

Xiao-Gang Tong, Gui-Sheng Wu, Cheng-Gang Huang, Qing Lu, Yue-Hu Wang, Chun-Lin Long, Huai-Rong Luo, Hua-Jie Zhu, Yong-Xian Cheng. Compounds from Acorus tatarinowii: determination of absolute configuration by quantum computations and cAMP regulation activity. Journal of natural products. 2010 Jun; 73(6):1160-3. doi: 10.1021/np900793e. [PMID: 20476749]
Arun K Sinha, Anuj Sharma, Bhupendra P Joshi, Narendra P Singh. A mild conversion of phenylpropropnoid into rare phenylbutanoids: (E)-4-(2,4,5-trimethoxyphenyl)but-1,3-diene and (E)-4-(2,4,5-trimethozypheny)but-1-ene occuring in Zingiber cassumunar. Natural product research. 2005 Dec; 19(8):771-6. doi: 10.1080/14786410500045523. [PMID: 16320427]
Arun K Sinha, Ruchi Acharya, Bhupendra P Joshi. A mild and convenient procedure for the conversion of toxic beta-asarone into rare phenylpropanoids: 2,4,5-trimethoxycinnamaldehyde and gamma-asarone. Journal of natural products. 2002 May; 65(5):764-5. doi: 10.1021/np010559s. [PMID: 12027763]