MUSK AMBRETTE (BioDeep_00000862587)

natural product

代谢物信息卡片

1-(1,1-Dimethylethyl)-2-methoxy-4-methylbenzene nitrated

化学式: C12H16N2O5 (268.1059166)
中文名称: 4-叔丁基-3-甲氧基-2,6-二硝基甲苯, 葵子麝香
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CC1=C(C=C(C(=C1[N+](=O)[O-])OC)C(C)(C)C)[N+](=O)[O-]
InChI: InChI=1S/C12H16N2O5/c1-7-9(13(15)16)6-8(12(2,3)4)11(19-5)10(7)14(17)18/h6H,1-5H3

描述信息

D009676 - Noxae > D009153 - Mutagens

同义名列表

3 个代谢物同义名

1-(1,1-Dimethylethyl)-2-methoxy-4-methylbenzene nitrated; MUSK AMBRETTE; Musk ambrette

数据库引用编号

9 个数据库交叉引用编号

ChEBI: CHEBI:82495
KEGG: C19461
PubChem: 6753
ChEMBL: CHEMBL1373568
CAS: 73507-41-2
CAS: 83-66-9
PubChem: 124490133
KNApSAcK: 82495
LOTUS: LTS0186083

分类词条

Other

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)

12 个相关的物种来源信息

3808 - Acacia: LTS0186083
2759 - Eukaryota: LTS0186083
3803 - Fabaceae: LTS0186083
3398 - Magnoliopsida: LTS0186083
13216 - Piper nigrum: 10.3390/MOLECULES24234244
468156 - Senegalia: LTS0186083
138013 - Senegalia berlandieri: 10.1016/S0031-9422(97)00240-9
138013 - Senegalia berlandieri: LTS0186083
35493 - Streptophyta: LTS0186083
58023 - Tracheophyta: LTS0186083
33090 - Viridiplantae: LTS0186083
33090 - 苏合香: -

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

H Ribeiro, S Ramos, V Homem, L Santos. Can coastline plant species be used as biosamplers of emerging contaminants? - UV-filters and synthetic musks as case studies. Chemosphere. 2017 Oct; 184(?):1134-1140. doi: 10.1016/j.chemosphere.2017.06.084. [PMID: 28672694]
Jie Yin, Hao Wang, Jingguang Li, Yongning Wu, Bing Shao. Occurrence of synthetic musks in human breast milk samples from 12 provinces in China. Food additives & contaminants. Part A, Chemistry, analysis, control, exposure & risk assessment. 2016 Jul; 33(7):1219-27. doi: 10.1080/19440049.2016.1201219. [PMID: 27310419]
Haruhiko Nakata. Occurrence of synthetic musk fragrances in marine mammals and sharks from Japanese coastal waters. Environmental science & technology. 2005 May; 39(10):3430-4. doi: 10.1021/es050199l. [PMID: 15952346]
David R Hawkins, Lionel F Elsom, David Kirkpatrick, Richard A Ford, Anne Marie Api. Dermal absorption and disposition of musk ambrette, musk ketone and musk xylene in human subjects. Toxicology letters. 2002 May; 131(3):147-51. doi: 10.1016/s0378-4274(01)00548-3. [PMID: 11992733]
P Roveri, V Andrisano, A M Di Pietra, V Cavrini. GC-MS analysis of incenses for possible presence of allergenic nitromusks. Journal of pharmaceutical and biomedical analysis. 1998 Jul; 17(3):393-8. doi: 10.1016/s0731-7085(97)00219-7. [PMID: 9656149]
R A Ford, A M Api, P M Newberne. 90-day dermal toxicity study and neurotoxicity evaluation of nitromusks in the albino rat. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association. 1990 Jan; 28(1):55-61. doi: 10.1016/0278-6915(90)90136-b. [PMID: 2312014]
J L Cirne de Castro, M A Pereira, F Prates Nunes, A Pereira dos Santos. Musk ambrette and chronic actinic dermatitis. Contact dermatitis. 1985 Nov; 13(5):302-6. doi: 10.1111/j.1600-0536.1985.tb02582.x. [PMID: 4092452]
W G Larsen. Perfume dermatitis. Journal of the American Academy of Dermatology. 1985 Jan; 12(1 Pt 1):1-9. doi: 10.1016/s0190-9622(85)70001-1. [PMID: 3884673]