Karakoline (BioDeep_00000398724)

Main id: BioDeep_00000000520

 

PANOMIX_OTCML-2023 natural product


代谢物信息卡片


(1S,2R,3R,4S,5S,6S,8S,9S,10S,13R,16S,17R)-11-ethyl-6-methoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,16-triol

化学式: C22H35NO4 (377.2566)
中文名称: 多根乌头碱
谱图信息: 最多检出来源 Homo sapiens(not specific) 28.95%

分子结构信息

SMILES: CCN1CC2(C)CCC(O)C34C5CC6C(O)C5C(O)(CC6OC)C(CC23)C14
InChI: InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3

描述信息

An organonitrogen heterocyclic compound that is aconitane bearing hydroxy groups at the 1alpha, 8, and 14alpha positions and substituted at on the nitrogen and at positions 4 and 16beta by ethyl, methyl, and methoxy groups, respectively.
Annotation level-1
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.396
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.391

同义名列表

4 个代谢物同义名

Karakoline; (1S,2R,3R,4S,5S,6S,8S,9S,10S,13R,16S,17R)-11-ethyl-6-methoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,16-triol; Carmicheline; Karakoline



数据库引用编号

30 个数据库交叉引用编号

分类词条

相关代谢途径

Reactome(0)

BioCyc(0)

PlantCyc(0)

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)

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。

亚细胞结构定位 关联基因列表
Cytoplasm 4 AKT1, AXIN2, GAP43, LGALS3
Peripheral membrane protein 2 ACHE, GAP43
Nucleus 4 ACHE, AKT1, AXIN2, LGALS3
cytosol 3 AKT1, AXIN2, LGALS3
dendrite 1 GAP43
centrosome 1 AXIN2
nucleoplasm 2 AKT1, LGALS3
Cell membrane 6 ACHE, AKT1, GAP43, KCNH2, PECAM1, TNF
Cytoplasmic side 1 GAP43
lamellipodium 1 AKT1
Cell projection, axon 1 GAP43
Multi-pass membrane protein 3 KCNH2, KCNJ3, KCNJ5
Synapse 3 ACAN, ACHE, GAP43
cell cortex 1 AKT1
cell junction 1 PECAM1
cell surface 4 ACHE, KCNH2, LGALS3, TNF
glutamatergic synapse 2 ACAN, AKT1
Golgi apparatus 1 ACHE
mitochondrial inner membrane 1 LGALS3
neuromuscular junction 1 ACHE
neuronal cell body 1 TNF
postsynapse 1 AKT1
presynaptic membrane 1 KCNJ3
Lysosome 1 SGSH
Presynapse 1 GAP43
plasma membrane 11 ACHE, AKT1, AXIN2, F2, GAP43, KCNH2, KCNJ3, KCNJ5, LGALS3, PECAM1, TNF
Membrane 6 ACHE, AKT1, KCNH2, KCNJ3, KCNJ5, LGALS3
extracellular exosome 4 F2, LGALS3, PECAM1, SGSH
extracellular space 8 ACAN, ACHE, F2, IGF1, IL2, LGALS3, PECAM1, TNF
lysosomal lumen 2 ACAN, SGSH
perinuclear region of cytoplasm 2 ACHE, KCNH2
protein-containing complex 2 AKT1, PECAM1
postsynaptic density 1 GAP43
Single-pass type I membrane protein 1 PECAM1
Secreted 5 ACHE, F2, IGF1, IL2, LGALS3
extracellular region 7 ACAN, ACHE, F2, IGF1, IL2, LGALS3, TNF
Extracellular side 1 ACHE
external side of plasma membrane 3 KCNJ3, PECAM1, TNF
Secreted, extracellular space, extracellular matrix 1 ACAN
T-tubule 1 KCNJ3
perikaryon 1 GAP43
beta-catenin destruction complex 1 AXIN2
microtubule cytoskeleton 1 AKT1
cell-cell junction 2 AKT1, PECAM1
recycling endosome 1 TNF
Single-pass type II membrane protein 1 TNF
vesicle 1 AKT1
Membrane raft 2 PECAM1, TNF
spindle 1 AKT1
GABA-ergic synapse 2 ACAN, GAP43
basement membrane 2 ACAN, ACHE
Mitochondrion intermembrane space 1 AKT1
mitochondrial intermembrane space 1 AKT1
collagen-containing extracellular matrix 3 ACAN, F2, LGALS3
ciliary basal body 1 AKT1
phagocytic cup 1 TNF
blood microparticle 1 F2
Lipid-anchor, GPI-anchor 1 ACHE
spliceosomal complex 1 LGALS3
monoatomic ion channel complex 3 KCNH2, KCNJ3, KCNJ5
Cell projection, dendrite 1 GAP43
side of membrane 1 ACHE
filopodium membrane 1 GAP43
inward rectifier potassium channel complex 1 KCNH2
voltage-gated potassium channel complex 3 KCNH2, KCNJ3, KCNJ5
exocytic vesicle 1 IGF1
secretory granule membrane 2 LGALS3, PECAM1
Golgi lumen 2 ACAN, F2
endoplasmic reticulum lumen 1 F2
platelet alpha granule lumen 1 IGF1
immunological synapse 1 LGALS3
perineuronal net 1 ACAN
parallel fiber to Purkinje cell synapse 1 KCNJ3
synaptic cleft 1 ACHE
ficolin-1-rich granule membrane 1 LGALS3
[Isoform Long]: Cell membrane 1 PECAM1
platelet alpha granule membrane 1 PECAM1
Cell projection, filopodium membrane 1 GAP43
[Tumor necrosis factor, soluble form]: Secreted 1 TNF
alphav-beta3 integrin-IGF-1-IGF1R complex 1 IGF1
insulin-like growth factor binding protein complex 1 IGF1
insulin-like growth factor ternary complex 1 IGF1
[Isoform Delta15]: Cell junction 1 PECAM1
Cell projection, growth cone membrane 1 GAP43
growth cone membrane 1 GAP43
[Isoform H]: Cell membrane 1 ACHE
perisynaptic extracellular matrix 1 ACAN
I(KACh) inward rectifier potassium channel complex 2 KCNJ3, KCNJ5
[C-domain 2]: Secreted 1 TNF
[Tumor necrosis factor, membrane form]: Membrane 1 TNF
[C-domain 1]: Secreted 1 TNF


文献列表

  • Zhi Long Liu, Jie Cao, Hai Min Zhang, Li Li Lin, Hui Juan Liu, Shu Shan Du, Ligang Zhou, Zhi Wei Deng. Feeding deterrents from Aconitum episcopale roots against the red flour beetle, Tribolium castaneum. Journal of agricultural and food chemistry. 2011 Apr; 59(8):3701-6. doi: 10.1021/jf104879h. [PMID: 21417277]
  • Jesús G Díaz, Juan García Ruiz, Werner Herz. Alkaloids from Delphinium pentagynum. Phytochemistry. 2004 Jul; 65(14):2123-7. doi: 10.1016/j.phytochem.2004.03.017. [PMID: 15279983]