3,7-Dimethyl-octa-1,7-dien-3,6-diol (BioDeep_00000227874)

human metabolite Volatile Flavor Compounds natural product

代谢物信息卡片

2,6-dimethylocta-1,7-diene-3,6-diol

化学式: C10H18O2 (170.1306728)
中文名称: 1,7-辛二烯-3,6-二醇，2,6-二甲基
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: C=CC(C)(O)CCC(O)C(=C)C
InChI: InChI=1S/C10H18O2/c1-5-10(4,12)7-6-9(11)8(2)3/h5,9,11-12H,1-2,6-7H2,3-4H3

描述信息

3,7-dimethyl-octa-1,7-dien-3,6-diol is a member of the class of compounds known as fatty alcohols. Fatty alcohols are aliphatic alcohols consisting of a chain of a least six carbon atoms. 3,7-dimethyl-octa-1,7-dien-3,6-diol is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 3,7-dimethyl-octa-1,7-dien-3,6-diol can be found in common grape, which makes 3,7-dimethyl-octa-1,7-dien-3,6-diol a potential biomarker for the consumption of this food product. 3,7-dimethyl-octa-1,7-dien-3,6-diol may be a unique S.cerevisiae (yeast) metabolite.

同义名列表

3 个代谢物同义名

2,6-dimethylocta-1,7-diene-3,6-diol; 3,7-Dimethyl-octa-1,7-dien-3,6-diol; 1,7-Octadiene-3,6-diol, 2,6-dimethyl-

数据库引用编号

6 个数据库交叉引用编号

PubChem: 548927
HMDB: HMDB0303050
foodb: FDB004694
chemspider: 477667
CAS: 51276-33-6
LOTUS: LTS0211975

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)

21 个相关的物种来源信息

13328 - Achillea: LTS0211975
282745 - Achillea ligustica: 10.1016/S0040-4020(03)00572-6
282745 - Achillea ligustica: LTS0211975
4210 - Asteraceae: LTS0211975
13428 - Cinnamomum: LTS0211975
13429 - Cinnamomum camphora: 10.1016/S0031-9422(00)89020-2
13429 - Cinnamomum camphora: LTS0211975
1222053 - Cinnamomum reticulatum: 10.1007/S10600-011-9887-3
1222053 - Cinnamomum reticulatum: LTS0211975
2759 - Eukaryota: LTS0211975
9606 - Homo sapiens: -
188509 - Hornstedtia: LTS0211975
215659 - Hornstedtia reticulata: 10.1007/S10600-011-9887-3
215659 - Hornstedtia reticulata: LTS0211975
3433 - Lauraceae: LTS0211975
4447 - Liliopsida: LTS0211975
3398 - Magnoliopsida: LTS0211975
35493 - Streptophyta: LTS0211975
58023 - Tracheophyta: LTS0211975
33090 - Viridiplantae: LTS0211975
4642 - Zingiberaceae: LTS0211975

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

Mohammad Ali, Nisha Chaudhary. Ficus hispida Linn.: A review of its pharmacognostic and ethnomedicinal properties. Pharmacognosy reviews. 2011 Jan; 5(9):96-102. doi: 10.4103/0973-7847.79104. [PMID: 22096323]
Yu-Yun Hsiao, Wen-Chieh Tsai, Chang-Sheng Kuoh, Tian-Hsiang Huang, Hei-Chia Wang, Tian-Shung Wu, Yann-Lii Leu, Wen-Huei Chen, Hong-Hwa Chen. Comparison of transcripts in Phalaenopsis bellina and Phalaenopsis equestris (Orchidaceae) flowers to deduce monoterpene biosynthesis pathway. BMC plant biology. 2006 Jul; 6(?):14. doi: 10.1186/1471-2229-6-14. [PMID: 16836766]
Q Song, D Yang, G Zhang, C Yang. Volatiles from Ficus hispida and their attractiveness to fig wasps. Journal of chemical ecology. 2001 Oct; 27(10):1929-42. doi: 10.1023/a:1012226400586. [PMID: 11710602]