1-Isopropyl-3-methylbenzene (BioDeep_00000026031)

Secondary id: BioDeep_00000620914

human metabolite Volatile Flavor Compounds

代谢物信息卡片

1-Methyl-3-(1-methylethyl)benzene, 9ci

化学式: C10H14 (134.1095444)
中文名称: 间伞花烃
谱图信息: 最多检出来源 Homo sapiens(feces) 75%

分子结构信息

SMILES: c1(cc(ccc1)C(C)C)C
InChI: InChI=1S/C10H14/c1-8(2)10-6-4-5-9(3)7-10/h4-8H,1-3H3

描述信息

1-Isopropyl-3-methylbenzene is found in blackcurrant. 1-Isopropyl-3-methylbenzene is present in oil of Ribes nigrum (blackcurrant).
Present in oil of Ribes nigrum (blackcurrant). 1-Isopropyl-3-methylbenzene is found in sweet basil, fruits, and blackcurrant.

同义名列表

16 个代谢物同义名

1-Methyl-3-(1-methylethyl)benzene, 9ci; 1-Methyl-3-(1-methylethyl)-benzene; 1-Methyl-3-(1-methylethyl)benzene; 1-methyl-3-(propan-2-yl)benzene; 1-Isopropyl-3-methylbenzene; 3-Methyl-1-isopropylbenzene; 1-Methyl-3-isopropylbenzene; m-Methylisopropylbenzene; m-Mentha-1,3,5-triene; m-Isopropyltoluene; 3-Isopropyltoluene; Meta-cymene; beta-Cymene; M-CYMENE; m-Cymol; M-Cymene

数据库引用编号

10 个数据库交叉引用编号

PubChem: 10812
HMDB: HMDB0037051
KNApSAcK: C00010967
foodb: FDB016033
chemspider: 10355
CAS: 535-77-3
PMhub: MS000208322
RefMet: 1-Isopropyl-3-methylbenzene
LOTUS: LTS0242970
wikidata: Q27251197

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)

13 个相关的物种来源信息

282739 - Achillea grandifolia: 10.1055/S-2006-961401
198841 - Bupleurum gibraltaricum: 10.1021/NP960732Y
146995 - Chrysanthemum indicum: 10.1002/CBDV.201000034
4047 - Coriandrum sativum: 10.1021/JF00029A021
79837 - Cymbopogon martinii: 10.1021/JF00073A015
147773 - Haplopappus foliosus: 10.1016/S0305-1978(99)00080-0
9606 - Homo sapiens: -
516065 - Mosla chinensis: 10.1002/CJOC.201180379
40880 - Myrrhis odorata: 10.1007/BF02860485
39350 - Ocimum basilicum: 10.1007/BF02860485
54830 - Osmorhiza longistylis: 10.1007/BF02860485
130377 - Piper aduncum: 10.1016/S0031-9422(97)00828-5
247692 - Piper marginatum: 10.1007/BF02860485

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

Saleh Abu-Lafi, Imad Odeh, Hasan Dewik, Mohammed Qabajah, Amin Imam, Valery M Dembitsky, Lumir O Hanus. Natural compounds of Palestine flora. Comparison analysis by static headspace and steam distillation GC-MS of semivolatile secondary metabolites from leaves of cultivated Palestinian Majorana syriaca. Biomedical papers of the Medical Faculty of the University Palacky, Olomouc, Czechoslovakia. 2007 Jun; 151(1):21-9. doi: 10.5507/bp.2007.004. [PMID: 17690735]
Xiu-wei Yang, Yu-feng Liu, Hai-yan Tao, Zhi Yang, Shi-ying Xiao. [GC-MS analysis of essential oils from Radix Angelicae Pubescentis]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica. 2006 Apr; 31(8):663-6. doi: . [PMID: 16830826]
Yan-li Tang, Yan-ru Deng, Han-qing Wang. [Chemical components of essential oils from the herb of Ligularia virgaurea]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica. 2003 Jul; 28(7):627-9. doi: . [PMID: 15139106]