Mesaconitine (BioDeep_00000000085)

   

PANOMIX_OTCML-2023 natural product


代谢物信息卡片


[(1S,2R,3R,4R,5R,6S,7S,8R,9R,10S,13R,14R,16S,17S,18R)-8-acetyloxy-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate

化学式: C33H45NO11 (631.2992)
中文名称: 美沙乌头碱, 中乌头碱, 新乌头碱, 新乌碱
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 64.95%

分子结构信息

SMILES: CC(=O)OC12C3C(CC(C3OC(=O)C4=CC=CC=C4)(C(C1O)OC)O)C56C(CC(C7(C5C(C2C6N(C7)C)OC)COC)O)OC
InChI: InChI=1S/C33H45NO11/c1-16(35)45-33-21-18(13-31(39,28(43-6)26(33)37)27(21)44-29(38)17-10-8-7-9-11-17)32-20(41-4)12-19(36)30(15-40-3)14-34(2)25(32)22(33)23(42-5)24(30)32/h7-11,18-28,36-37,39H,12-15H2,1-6H3/t18-,19-,20+,21-,22+,23+,24-,25+,26+,27-,28+,30+,31-,32+,33-/m1/s1

描述信息

Mesaconitine is a diterpenoid.
Mesaconitine is a natural product found in Aconitum anthora, Aconitum napellus, and other organisms with data available.
Origin: Plant; SubCategory_DNP: Terpenoid alkaloids, Diterpene alkaloid, Aconitum alkaloid
Annotation level-1
Mesaconitine is the main active component of genus aconitum plants. IC50 value: Target: in vitro: In HUVECs, 30 microM mesaconitine increased the [Ca(2+)](i) level in the presence of extracellular CaCl(2) and NaCl, and the response was inhibited by KBR7943. Mesaconitine increased intracellular Na(+) concentration level in HUVECs. The [Ca(2+)](i) response by mesaconitine was inhibited by 100 microM D-tubocurarine [1]. Mesaconitine at 30 microM inhibited 3 microM phenylephrine-induced contraction in the endothelium-intact, but not endothelium-denuded, aortic rings [2]. MA promoted the alpha-MT-induced decrease in NE levels in hippocampus, medulla oblongata plus pons and spinal cord [3].
Mesaconitine is the main active component of genus aconitum plants. IC50 value: Target: in vitro: In HUVECs, 30 microM mesaconitine increased the [Ca(2+)](i) level in the presence of extracellular CaCl(2) and NaCl, and the response was inhibited by KBR7943. Mesaconitine increased intracellular Na(+) concentration level in HUVECs. The [Ca(2+)](i) response by mesaconitine was inhibited by 100 microM D-tubocurarine [1]. Mesaconitine at 30 microM inhibited 3 microM phenylephrine-induced contraction in the endothelium-intact, but not endothelium-denuded, aortic rings [2]. MA promoted the alpha-MT-induced decrease in NE levels in hippocampus, medulla oblongata plus pons and spinal cord [3].

同义名列表

10 个代谢物同义名

mesaconitine hydrobromide, (1alpha,3alpha,6alpha,14alpha,15alpha,16beta)-isomer of mesaconitine; N-desethyl-N-methylaconitine; XUHJBXVYNBQQBD-TUWOXVOMSA-N; Japaconitine B; Japaconitine A; Mesaconitine; [(1S,2R,3R,4R,5R,6S,7S,8R,9R,10S,13R,14R,16S,17S,18R)-8-acetyloxy-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate; Aconitane-3,8,13,14,15-pentol, 1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-, 8-acetate 14-benzoate, (1alpha,3alpha,6alpha,14alpha,15alpha,16beta)-; [(1S,4R,5R,6S,7S,8R,9R,10R,13R,14R,16S,18R)-8-acetyloxy-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate; Mesaconitine



数据库引用编号

39 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)

78 个相关的物种来源信息

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 10 ABCB1, CA1, CASP3, CYP2C19, CYP2C9, CYP2E1, CYP3A4, GPD1, PIK3CA, RB1
Peripheral membrane protein 2 CYP1B1, CYP2E1
Endoplasmic reticulum membrane 6 CYP1A2, CYP1B1, CYP2C19, CYP2C9, CYP2E1, CYP3A4
Mitochondrion membrane 1 ABCG2
Nucleus 5 CASP3, PPARA, RB1, RBL2, TFAM
cytosol 7 CA1, CASP3, GPD1, PIK3CA, RB1, RBL2, TFAM
mitochondrial membrane 1 ABCG2
nucleoplasm 5 ABCG2, CASP3, PPARA, RB1, RBL2
Cell membrane 3 ABCB1, ABCG2, TNF
lamellipodium 1 PIK3CA
Multi-pass membrane protein 3 ABCB1, ABCC2, ABCG2
Synapse 1 ACAN
cell surface 3 ABCB1, ABCC2, TNF
glutamatergic synapse 2 ACAN, CASP3
mitochondrial inner membrane 1 CYP2E1
neuronal cell body 2 CASP3, TNF
plasma membrane 7 ABCB1, ABCC2, ABCG2, CYP2C19, CYP2C9, PIK3CA, TNF
Membrane 5 ABCB1, ABCC2, ABCG2, CYP1B1, CYP3A4
apical plasma membrane 3 ABCB1, ABCC2, ABCG2
extracellular exosome 4 ABCB1, CA1, GPD1, RBL2
extracellular space 3 ACAN, IL2, TNF
lysosomal lumen 1 ACAN
perinuclear region of cytoplasm 1 PIK3CA
intercalated disc 1 PIK3CA
intercellular canaliculus 1 ABCC2
mitochondrion 2 CYP1B1, TFAM
protein-containing complex 1 TFAM
intracellular membrane-bounded organelle 6 CYP1A2, CYP1B1, CYP2C19, CYP2C9, CYP2E1, CYP3A4
Microsome membrane 5 CYP1A2, CYP1B1, CYP2C9, CYP2E1, CYP3A4
postsynaptic density 1 CASP3
Secreted 1 IL2
extracellular region 3 ACAN, IL2, TNF
mitochondrial matrix 1 TFAM
transcription regulator complex 1 RBL2
external side of plasma membrane 1 TNF
Secreted, extracellular space, extracellular matrix 1 ACAN
nucleolus 1 RBL2
recycling endosome 1 TNF
Single-pass type II membrane protein 1 TNF
Apical cell membrane 3 ABCB1, ABCC2, ABCG2
Mitochondrion inner membrane 1 CYP2E1
Membrane raft 2 ABCG2, TNF
spindle 1 RB1
GABA-ergic synapse 1 ACAN
mitochondrial nucleoid 1 TFAM
basement membrane 1 ACAN
PML body 1 RB1
collagen-containing extracellular matrix 1 ACAN
chromatin 3 PPARA, RB1, RBL2
phagocytic cup 1 TNF
Chromosome 1 RBL2
brush border membrane 1 ABCG2
Golgi lumen 1 ACAN
phosphatidylinositol 3-kinase complex 1 PIK3CA
phosphatidylinositol 3-kinase complex, class IA 1 PIK3CA
SWI/SNF complex 1 RB1
perineuronal net 1 ACAN
external side of apical plasma membrane 2 ABCB1, ABCG2
death-inducing signaling complex 1 CASP3
[Tumor necrosis factor, soluble form]: Secreted 1 TNF
chromatin lock complex 1 RB1
Rb-E2F complex 1 RB1
perisynaptic extracellular matrix 1 ACAN
Mitochondrion matrix, mitochondrion nucleoid 1 TFAM
phosphatidylinositol 3-kinase complex, class IB 1 PIK3CA
[C-domain 2]: Secreted 1 TNF
[Tumor necrosis factor, membrane form]: Membrane 1 TNF
[C-domain 1]: Secreted 1 TNF


文献列表

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