Citronellyl formate (BioDeep_00001873899)

Main id: BioDeep_00000009228

代谢物信息卡片

3,7-Dimethyl-6-octen-1-yl formate

化学式: C11H20O2 (184.14632200000003)
中文名称: 甲酸香茅酯
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: C/C(/C)=C/CCC(C)CCOC=O
InChI: InChI=1S/C11H20O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,9,11H,4,6-8H2,1-3H3

描述信息

同义名列表

2 个代谢物同义名

3,7-Dimethyl-6-octen-1-yl formate; Citronellyl formate

数据库引用编号

14 个数据库交叉引用编号

ChEBI: CHEBI:179390
ChEBI: CHEBI:172076
ChEBI: CHEBI:31406
KEGG: C12295
PubChem: 7778
ChEMBL: CHEMBL3184928
LipidMAPS: LMPR0102010014
KNApSAcK: C00035565
CAS: 93919-93-8
CAS: 93919-91-6
CAS: 105-85-1
PubChem: 14439
3DMET: B05623
NIKKAJI: J2.854A

分类词条

Acyclic monoterpenoids [PR010201]

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)

18 个相关的物种来源信息

329675 Daphne odora: 10.1271/BBB1961.47.483
2715869 Daphne papyracea: 10.1271/BBB1961.47.483
253082 Pelargonium quercifolium: 10.1080/10412905.1991.9697953
204187 Plectranthus glabratus: 10.1080/10412905.1993.9698226
253086 Pelargonium vitifolium: 10.1080/10412905.1992.9698083
4028 Geranium:
3369 Cryptomeria japonica: 10.1080/10412905.1991.9697930
73200 Pelargonium graveolens:
163050 Pelargonium ternifolium:
329675 Daphne odora: 10.1271/BBB1961.47.483
2715869 Daphne papyracea: 10.1271/BBB1961.47.483
253082 Pelargonium quercifolium: 10.1080/10412905.1991.9697953
204187 Plectranthus glabratus: 10.1080/10412905.1993.9698226
253086 Pelargonium vitifolium: 10.1080/10412905.1992.9698083
4028 Geranium:
3369 Cryptomeria japonica: 10.1080/10412905.1991.9697930
73200 Pelargonium graveolens:
163050 Pelargonium ternifolium:

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

Edenilson Dos Santos Niculau, Péricles Barreto Alves, Paulo Cesar de Lima Nogueira, Luciane Pimenta Cruz Romão, Graziele da Costa Cunha, Arie Fitzgerald Blank, Anderson de Carvalho Silva. Chemical Profile and Use of the Peat as an Adsorbent for Extraction of Volatile Compounds from Leaves of Geranium (Pelargonium graveolens L' Herit). Molecules (Basel, Switzerland). 2020 Oct; 25(21):. doi: 10.3390/molecules25214923. [PMID: 33114417]
Abdolhossein Rezaei Nejad, Ahmad Ismaili. Changes in growth, essential oil yield and composition of geranium (Pelargonium graveolens L.) as affected by growing media. Journal of the science of food and agriculture. 2014 Mar; 94(5):905-10. doi: 10.1002/jsfa.6334. [PMID: 23913545]
Mohamed Nadjib Boukhatem, Abdelkrim Kameli, Mohamed Amine Ferhat, Fairouz Saidi, Maamar Mekarnia. Rose geranium essential oil as a source of new and safe anti-inflammatory drugs. The Libyan journal of medicine. 2013 10; 8(1):22520. doi: 10.3402/ljm.v8i0.22520. [PMID: 24103319]
Zied Zarai, Adel Kadri, Ines Ben Chobba, Riadh Ben Mansour, Ahmed Bekir, Hafedh Mejdoub, Néji Gharsallah. The in-vitro evaluation of antibacterial, antifungal and cytotoxic properties of Marrubium vulgare L. essential oil grown in Tunisia. Lipids in health and disease. 2011 Sep; 10(?):161. doi: 10.1186/1476-511x-10-161. [PMID: 21936887]
Hyang-Sook Choi. Characteristic odor components of kumquat (Fortunella japonica Swingle) peel oil. Journal of agricultural and food chemistry. 2005 Mar; 53(5):1642-7. doi: 10.1021/jf040324x. [PMID: 15740053]
B R Rajeswara Rao, P N Kaul, K V Syamasundar, S Ramesh. Water soluble fractions of rose-scented geranium (Pelargonium species) essential oil. Bioresource technology. 2002 Sep; 84(3):243-6. doi: 10.1016/s0960-8524(02)00057-3. [PMID: 12118700]