Anisole (BioDeep_00000004683)

Secondary id: BioDeep_00000644316, BioDeep_00000862415

human metabolite

代谢物信息卡片

Methoxy-benzene (anisol)

化学式: C7H8O (108.0575118)
中文名称: 苯甲醚
谱图信息: 最多检出来源 Homo sapiens(blood) 0.23%

分子结构信息

SMILES: COC1=CC=CC=C1
InChI: InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3

描述信息

Anisole is a flavouring agent Anisole is a precursor to perfumes, insect pheromones, and pharmaceuticals. For example, synthetic anethole is prepared from anisole. Anisole undergoes electrophilic aromatic substitution reaction more quickly than does benzene, which in turn reacts more quickly than nitrobenzene. The methoxy group is an ortho/para directing group, which means that electrophilic substitution preferentially occurs at these three sites. The enhanced nucleophilicity of anisole vs benzene reflects the influence of the methoxy group, which renders the ring more electron-rich. The methoxy group strongly affects the pi cloud of the ring, moreso than the inductive effect of the electronegative oxygen.
Flavouring agent

同义名列表

13 个代谢物同义名

Methoxy-benzene (anisol); Phenyl methyl ether; Methyl phenyl ether; Methyl phenyl-ether; Phenol methyl ether; Methoxy-benzene; methoxybenzene; Phenoxymethane; Anisole, 8ci; ANISOLE; HSDB 44; Anizol; Anisol

数据库引用编号

18 个数据库交叉引用编号

ChEBI: CHEBI:192244
ChEBI: CHEBI:16579
KEGG: C01403
PubChem: 7519
HMDB: HMDB0033895
Metlin: METLIN65588
ChEMBL: CHEMBL278024
Wikipedia: Anisole
MetaCyc: CPD-395
KNApSAcK: C00052810
foodb: FDB012090
chemspider: 7238
CAS: 100-66-3
PMhub: MS000017235
PubChem: 4592
3DMET: B00283
NIKKAJI: J4.012F
RefMet: Anisole

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)

29 个相关的物种来源信息

41067 Aspergillus candidus: 10.1016/S0045-6535(99)00015-6
39416 Tuber melanosporum: 10.1021/JF00077A031
4463 Sauromatum venosum: 10.1016/S0031-9422(00)94756-3
282714 Achillea abrotanoides: 10.1016/0305-1978(92)90070-T
3741 Manilkara zapota: 10.1021/JF00111A026
204144 Ocimum gratissimum: 10.1016/S0305-1978(00)00062-4
146781 Phallus impudicus: 10.1248/CPB.32.797
5791 Physarum polycephalum: 10.1248/CPB.32.797
75727 Zizania aquatica: 10.1021/JF940651C
2939662 Nymphaea lasiophylla: 10.1016/J.PHYTOCHEM.2014.04.007
349245 Nymphaea amazonum: 10.1016/J.PHYTOCHEM.2014.04.007
125157 Peristeria elata: 10.1080/10412905.1992.9698106
4233 Helianthus tuberosus: 10.1016/S0031-9422(82)85033-4
551215 Euploea sylvester: 10.1515/ZNC-1988-1-219
41067 Aspergillus candidus: 10.1016/S0045-6535(99)00015-6
39416 Tuber melanosporum: 10.1021/JF00077A031
4463 Sauromatum venosum: 10.1016/S0031-9422(00)94756-3
282714 Achillea abrotanoides: 10.1016/0305-1978(92)90070-T
3741 Manilkara zapota: 10.1021/JF00111A026
204144 Ocimum gratissimum: 10.1016/S0305-1978(00)00062-4
146781 Phallus impudicus: 10.1248/CPB.32.797
5791 Physarum polycephalum: 10.1248/CPB.32.797
75727 Zizania aquatica: 10.1021/JF940651C
2939662 Nymphaea lasiophylla: 10.1016/J.PHYTOCHEM.2014.04.007
349245 Nymphaea amazonum: 10.1016/J.PHYTOCHEM.2014.04.007
125157 Peristeria elata: 10.1080/10412905.1992.9698106
4233 Helianthus tuberosus: 10.1016/S0031-9422(82)85033-4
551215 Euploea sylvester: 10.1515/ZNC-1988-1-219
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

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