3-METHOXYBENZOIC ACID (BioDeep_00001871744)

PANOMIX_OTCML-2023

代谢物信息卡片

3-METHOXYBENZOIC ACID

化学式: C8H8O3 (152.0473418)
中文名称: 3-甲氧基苯甲酸
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: COC1=CC=CC(=C1)C(=O)O
InChI: InChI=1S/C8H8O3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10)

描述信息

A methoxybenzoic acid that is benzoic acid substituted by a methoxy group at position 3.
3-Methoxybenzoic acid can be used in the synthesis of 3-methoxybenzoates of europium (III) and gadolinium (III).

同义名列表

5 个代谢物同义名

3-METHOXYBENZOIC ACID; 3-Anisic acid; NSC 27014; NSC 9264; m-Methoxybenzoic acid

数据库引用编号

6 个数据库交叉引用编号

ChEBI: CHEBI:88458
PubChem: 11461
ChEMBL: CHEMBL22425
CAS: 586-38-9
MetaboLights: MTBLC88458
medchemexpress: HY-Y0760

分类词条

酮类、醛类、酸类

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)

8 个相关的物种来源信息

3505 Betula pendula: 10.1007/BF00575727
84005 Arbutus unedo: 10.1006/JFCA.1999.0868
54800 Larix kaempferi: 10.5246/JCPS.2012.05.057
3355 Pseudolarix amabilis: 10.5246/JCPS.2012.05.057
3505 Betula pendula: 10.1007/BF00575727
84005 Arbutus unedo: 10.1006/JFCA.1999.0868
54800 Larix kaempferi: 10.5246/JCPS.2012.05.057
3355 Pseudolarix amabilis: 10.5246/JCPS.2012.05.057

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

Ljerka Lah, Barbara Podobnik, Metka Novak, Branka Korošec, Sabina Berne, Matjaž Vogelsang, Nada Kraševec, Neja Zupanec, Jure Stojan, Joerg Bohlmann, Radovan Komel. The versatility of the fungal cytochrome P450 monooxygenase system is instrumental in xenobiotic detoxification. Molecular microbiology. 2011 Sep; 81(5):1374-89. doi: 10.1111/j.1365-2958.2011.07772.x. [PMID: 21810122]
M Khatak, S Khatak, A A Siddqui, N Vasudeva, A Aggarwal, P Aggarwal. Salvadora persica. Pharmacognosy reviews. 2010 Jul; 4(8):209-14. doi: 10.4103/0973-7847.70920. [PMID: 22228963]
Nighat Sultana, Musarrat Akhter, Rashid Ali Khan, Nighat Afza, Rasool Bakh Tareen, Abdul Malik. Nematicidal natural products from the aerial parts of Buddleja crispa. Natural product research. 2010 May; 24(9):783-8. doi: 10.1080/14786410802496846. [PMID: 20461624]
Chao-Bin Xue, Li Zhang, Wan-Chun Luo, Xian-Ye Xie, Lin Jiang, Ting Xiao. 3D-QSAR and molecular docking studies of benzaldehyde thiosemicarbazone, benzaldehyde, benzoic acid, and their derivatives as phenoloxidase inhibitors. Bioorganic & medicinal chemistry. 2007 Mar; 15(5):2006-15. doi: 10.1016/j.bmc.2006.12.038. [PMID: 17258462]
P E Devaraj, M J Clemens, A P Johnstone. Characterization of the superinduction of the c-myc proto-oncogene in fibroblasts by benzamide derivatives. Molecular and cellular biochemistry. 1993 Jul; 124(2):175-81. doi: 10.1007/bf00929210. [PMID: 8232288]
M M Ames, C D Selassie, L C Woodson, J A Van Loon, C Hansch, R M Weinshilboum. Thiopurine methyltransferase: structure-activity relationships for benzoic acid inhibitors and thiophenol substrates. Journal of medicinal chemistry. 1986 Mar; 29(3):354-8. doi: 10.1021/jm00153a009. [PMID: 3950915]