Epicubenol (BioDeep_00000004276)

human metabolite Endogenous

代谢物信息卡片

4,7-dimethyl-1-(propan-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalen-4a-ol

化学式: C15H26O (222.1983546)
中文名称:
谱图信息: 最多检出来源 Homo sapiens(blood) 25%

分子结构信息

SMILES: CC(C)C1CCC(C)C2(O)CCC(C)=CC12
InChI: InChI=1S/C15H26O/c1-10(2)13-6-5-12(4)15(16)8-7-11(3)9-14(13)15/h9-10,12-14,16H,5-8H2,1-4H3

描述信息

1alpha-4-Cadinen-1-ol is found in cloves. 1alpha-4-Cadinen-1-ol is a constituent of oil of cubeb pepper (Piper cubeba).
Constituent of cubeb pepper (Piper cubeba) oil. Epicubenol is found in herbs and spices.

同义名列表

6 个代谢物同义名

4,7-dimethyl-1-(propan-2-yl)-1,2,3,4,4a,5,6,8a-octahydronaphthalen-4a-ol; 1-isopropyl-4,7-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-4a-ol; (+)-Epicubenol; Epi-cubenol; epicubenol; Cubenol

数据库引用编号

17 个数据库交叉引用编号

ChEBI: CHEBI:61686
KEGG: C19744
PubChem: 11831045
PubChem: 519857
HMDB: HMDB0037031
Metlin: METLIN73332
ChEMBL: CHEMBL4569883
KNApSAcK: C00033734
KNApSAcK: C00020145
foodb: FDB016012
chemspider: 453462
CAS: 19912-67-5
CAS: 81939-29-9
CAS: 21284-22-0
PMhub: MS000016262
PubChem: 135626211
KNApSAcK: C00020146

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)

51 个相关的物种来源信息

130381 Piper arboreum: 10.1016/S0031-9422(97)00762-0
425151 Piper fimbriulatum: 10.1016/S0031-9422(97)00762-0
93692 Cedrus libani: 10.1016/J.PHYMED.2007.03.013
13216 Piper nigrum: 10.3390/MOLECULES24234244
124947 Cedrela odorata: 10.1590/S0103-50532000000600012
215256 Scapania undulata:
187462 Chamaecyparis obtusa var. formosana: 10.1021/NP0101402
123597 Cedrus atlantica: 10.1039/P19750001502
1911 Streptomyces griseus: 10.1038/JA.2012.68
13217 Piper betle: 10.1016/S0031-9422(97)00762-0
405322 Piper cubeba: 10.1016/S0031-9422(97)00762-0
123597 Cedrus atlantica: 10.1016/J.PHYMED.2007.03.013
179994 Entandrophragma cylindricum: 10.1080/10412905.1999.9701102
215256 Scapania undulata: 10.1016/J.PHYTOCHEM.2003.10.018
164936 Melaleuca leucadendra: 10.1002/CBDV.200900162
1045233 Wurfbainia neoaurantiaca: 10.1007/S11418-006-0039-1
857215 Zingiber purpureum: 10.3329/BJP.V3I2.844
336856 Zingiber montanum: 10.3329/BJP.V3I2.844
881605 Ocotea longifolia: 10.1080/10575630108041276
402568 Guatteria blepharophylla: 10.1016/J.PHYTOCHEM.2008.03.005
4039 Daucus carota: 10.1002/CBDV.201300390
157156 Dictyopteris prolifera: 10.1016/0031-9422(89)80070-6
1643381 Pteris preussii: 10.1016/0031-9422(89)80070-6
332445 Clinopodium gilliesii: 10.1016/0031-9422(93)80026-O
93692 Cedrus libani: 10.1039/P19750001502
130381 Piper arboreum: 10.1016/S0031-9422(97)00762-0
425151 Piper fimbriulatum: 10.1016/S0031-9422(97)00762-0
93692 Cedrus libani: 10.1016/J.PHYMED.2007.03.013
13216 Piper nigrum: 10.3390/MOLECULES24234244
124947 Cedrela odorata: 10.1590/S0103-50532000000600012
215256 Scapania undulata:
187462 Chamaecyparis obtusa var. formosana: 10.1021/NP0101402
123597 Cedrus atlantica: 10.1039/P19750001502
1911 Streptomyces griseus: 10.1038/JA.2012.68
13217 Piper betle: 10.1016/S0031-9422(97)00762-0
405322 Piper cubeba: 10.1016/S0031-9422(97)00762-0
123597 Cedrus atlantica: 10.1016/J.PHYMED.2007.03.013
179994 Entandrophragma cylindricum: 10.1080/10412905.1999.9701102
215256 Scapania undulata: 10.1016/J.PHYTOCHEM.2003.10.018
164936 Melaleuca leucadendra: 10.1002/CBDV.200900162
1045233 Wurfbainia neoaurantiaca: 10.1007/S11418-006-0039-1
857215 Zingiber purpureum: 10.3329/BJP.V3I2.844
336856 Zingiber montanum: 10.3329/BJP.V3I2.844
881605 Ocotea longifolia: 10.1080/10575630108041276
402568 Guatteria blepharophylla: 10.1016/J.PHYTOCHEM.2008.03.005
4039 Daucus carota: 10.1002/CBDV.201300390
157156 Dictyopteris prolifera: 10.1016/0031-9422(89)80070-6
1643381 Pteris preussii: 10.1016/0031-9422(89)80070-6
332445 Clinopodium gilliesii: 10.1016/0031-9422(93)80026-O
93692 Cedrus libani: 10.1039/P19750001502
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

Jeroen S Dickschat, Zhiyang Quan, Gregor Schnakenburg. A Case of Convergent Evolution: The Bacterial Sesquiterpene Synthase for 1-epi-Cubenol from Nonomuraea coxensis. Chembiochem : a European journal of chemical biology. 2023 Sep; ?(?):e202300581. doi: 10.1002/cbic.202300581. [PMID: 37748088]
Ananya Nayak, Ayushman Gadnayak, Khirabdhi Tanaya Dash, Sudipta Jena, Asit Ray, Sanghamitra Nayak, Ambika Sahoo. Exploring molecular docking with MM-GBSA and molecular dynamics simulation to predict potent inhibitors of cyclooxygenase (COX-2) enzyme from terpenoid-based active principles of Zingiber species. Journal of biomolecular structure & dynamics. 2022 Dec; ?(?):1-11. doi: 10.1080/07391102.2022.2161011. [PMID: 36576262]
Sudipta Jena, Asit Ray, Ambika Sahoo, Prabhat Kumar Das, Pradeep Kumar Kamila, Subrat Kumar Kar, Sanghamitra Nayak, Pratap Chandra Panda. Anti-Proliferative Activity of Piper trioicum Leaf Essential Oil Based on Phytoconstituent Analysis, Molecular Docking and In Silico ADMET Approaches. Combinatorial chemistry & high throughput screening. 2021 Dec; ?(?):. doi: 10.2174/1386207325666211222113239. [PMID: 34951357]
Nan Ding, Yi Jiang, Li Han, Xiu Chen, Jian Ma, Xiaodan Qu, Yu Mu, Jiang Liu, Liya Li, Chenglin Jiang, Xueshi Huang. Bafilomycins and Odoriferous Sesquiterpenoids from Streptomyces albolongus Isolated from Elephas maximus Feces. Journal of natural products. 2016 Apr; 79(4):799-805. doi: 10.1021/acs.jnatprod.5b00827. [PMID: 26933756]
Tripti Mishra, Mahesh Pal, Sanjeev Meena, Dipak Datta, Prateek Dixit, Anil Kumar, Baleshwar Meena, T S Rana, D K Upreti. Composition and in vitro cytotoxic activities of essential oil of Hedychium spicatum from different geographical regions of western Himalaya by principal components analysis. Natural product research. 2016; 30(10):1224-7. doi: 10.1080/14786419.2015.1049176. [PMID: 26196318]
Roberto de Oliveira Portella, Roselaine Facanali, Márcia Ortiz Mayo Marques, Luiz Fernando Rolim de Almeida. Chemical composition of essential oils from the vegetative and reproductive structures of Copaifera langsdorffii Desf. Natural product research. 2015; 29(9):874-8. doi: 10.1080/14786419.2014.987145. [PMID: 25588080]
Samah Djeddi, Khadidja Djebile, Ghania Hadjbourega, Zoubida Achour, Catherine Argyropoulou, Helen Skaltsa. In vitro antimicrobial properties and chemical composition of Santolina chamaecyparissus essential oil from Algeria. Natural product communications. 2012 Jul; 7(7):937-40. doi: . [PMID: 22908587]
Shi-feng Ni, Cheng-xin Fu, Yuan-jiang Pan, Yan-bin Lu, Ping Wu, Gilbert Y S Chan. [Contrastive analysis of volatile oil from Serissa serissoides in different seasons]. Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica. 2004 Jan; 29(1):54-8. doi: . [PMID: 15709384]
P Magiatis, A Michaelakis, A L Skaltsounis, S A Haroutounian. Volatile secondary metabolite pattern of callus cultures of Chamomilla recutita. Natural product letters. 2001; 15(2):125-30. doi: 10.1080/10575630108041269. [PMID: 11561445]