Neriifolin (BioDeep_00000001048)

   

PANOMIX_OTCML-2023 Chemicals and Drugs Toxin natural product


代谢物信息卡片


3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

化学式: C30H46O8 (534.3193)
中文名称: 黄夹次甙乙
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 22.85%

Reviewed

Last reviewed on 2024-09-27.

Cite this Page

Neriifolin. BioDeep Database v3. PANOMIX ltd, a top metabolomics service provider from China. https://query.biodeep.cn/s/neriifolin (retrieved 2024-12-22) (BioDeep RN: BioDeep_00000001048). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

分子结构信息

SMILES: C1[C@@H](C[C@@H]2[C@](C1)([C@@H]1[C@@H](CC2)[C@@]2([C@](CC1)([C@H](CC2)C1=CC(=O)OC1)C)O)C)O[C@@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C)O)OC)O
InChI: InChI=1S/C30H46O8/c1-16-24(32)26(35-4)25(33)27(37-16)38-19-7-10-28(2)18(14-19)5-6-22-21(28)8-11-29(3)20(9-12-30(22,29)34)17-13-23(31)36-15-17/h13,16,18-22,24-27,32-34H,5-12,14-15H2,1-4H3/t16-,18+,19-,20+,21-,22+,24-,25+,26-,27+,28-,29+,30-/m0/s1

描述信息

Neriifolin is a cardenolide glycoside that is digitoxigenin in which the hydroxy goup at position 3 has been converted to its (6-deoxy-3-O-methyl-alpha-L-glucopyranoside derivative. Found in the seeds of Cerbera odollamand in Thevetia ahouia and Thevitia neriifolia. It has a role as a cardiotonic drug, a toxin and a neuroprotective agent. It is functionally related to a digitoxigenin.
Neriifolin is a natural product found in Cerbera manghas, Cerbera odollam, and other organisms with data available.
A cardenolide glycoside that is digitoxigenin in which the hydroxy goup at position 3 has been converted to its (6-deoxy-3-O-methyl-alpha-L-glucopyranoside derivative. Found in the seeds of Cerbera odollamand in Thevetia ahouia and Thevitia neriifolia.
D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides
[Raw Data] CB071_Neriifolin_pos_40eV_CB000031.txt
[Raw Data] CB071_Neriifolin_pos_10eV_CB000031.txt
[Raw Data] CB071_Neriifolin_pos_20eV_CB000031.txt
[Raw Data] CB071_Neriifolin_pos_50eV_CB000031.txt
[Raw Data] CB071_Neriifolin_pos_30eV_CB000031.txt
Neriifolin, a CNS-penetrating cardiac glycoside, is an inhibitor of the Na+, K+-ATPase. Neriifolin can target beclin 1, inhibits the formation of LC3-associated phagosomes and ameliorates experimental autoimmune encephalomyelitis (EAE) development. Neriifolin induces cell cycle arrest and apoptosis in human hepatocellular carcinoma HepG2 cells[1][2.
Neriifolin, a CNS-penetrating cardiac glycoside, is an inhibitor of the Na+, K+-ATPase. Neriifolin can target beclin 1, inhibits the formation of LC3-associated phagosomes and ameliorates experimental autoimmune encephalomyelitis (EAE) development. Neriifolin induces cell cycle arrest and apoptosis in human hepatocellular carcinoma HepG2 cells[1][2.

同义名列表

20 个代谢物同义名

3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one; CARD-20(22)-ENOLIDE, 3-((6-DEOXY-3-O-METHYL-.ALPHA.-L-GLUCOPYRANOSYL)OXY)-14-HYDROXY-, (3.BETA.,5.BETA.)-; 5-beta-Card-20(22)-enolide, 3-beta-((6-deoxy-3-O-methyl-beta-L-glucopyranosyl)oxy)-14-hydroxy-; (5beta)-3beta-((6-Deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy)-14-hydroxycard-20(22)-enolide; 3beta-(6-deoxy-3-O-methyl-alpha-L-glucopyranosyloxy)-14-hydroxy-5beta-card-20(22)-enolide; (3beta,5beta)-3-[(6-Deoxy-3-O-methyl-alpha-L-glucopyranosyl)oxy]card-20(22)-enolide; neriifolin, beta-D-glucopyranosyl cpd (3beta,5beta)-isomer; 4-18-00-01486 (Beilstein Handbook Reference); Digitoxigenin 3-(alpha-L-thevetoside); Digitoxigenin + thevetose [German]; neriifolin, (3beta,5alpha)-isomer; Digitoxigenin + thevetose; 17.BETA.-NERIIFOLIN; 17beta-Neriifolin; UNII-5RD2ADS9WV; NERIIFOLIN [MI]; Neriifolin; 5RD2ADS9WV; Odoroside H; Neriifolin



数据库引用编号

24 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)

70 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 11 AIMP2, AXIN2, CASP3, CYP2D6, CYP3A4, DDIT3, EIF2AK2, HOXA9, KLHL41, NOS2, TFDP3
Peripheral membrane protein 1 GORASP1
Endoplasmic reticulum membrane 4 CYP2D6, CYP3A4, HSP90B1, KLHL41
Nucleus 11 AIMP2, AXIN2, CA9, CASP3, CEBPA, DDIT3, EIF2AK2, HOXA9, HSP90B1, NOS2, TFDP3
cytosol 9 AIMP2, AVP, AXIN2, CASP3, DDIT3, EIF2AK2, HSP90B1, KLHL41, NOS2
dendrite 1 AVP
centrosome 1 AXIN2
nucleoplasm 6 CASP3, CEBPA, EIF2AK2, HOXA9, KLHL41, NOS2
RNA polymerase II transcription regulator complex 2 CEBPA, DDIT3
Cell membrane 3 CA9, SCN2A, TNF
Cytoplasmic side 1 GORASP1
Multi-pass membrane protein 2 CACNA1I, SCN2A
Golgi apparatus membrane 1 GORASP1
cell surface 1 TNF
glutamatergic synapse 2 CASP3, SCN2A
Golgi apparatus 1 GORASP1
Golgi membrane 2 GORASP1, INS
neuronal cell body 2 CASP3, TNF
presynaptic membrane 1 SCN2A
smooth endoplasmic reticulum 1 HSP90B1
Cytoplasm, cytosol 2 AIMP2, NOS2
plasma membrane 7 AXIN2, CA9, CACNA1I, KLHL41, NOS2, SCN2A, TNF
Membrane 8 AIMP2, CA9, CACNA1I, CYP2D6, CYP3A4, EIF2AK2, HSP90B1, SCN2A
axon 1 SCN2A
basolateral plasma membrane 1 CA9
extracellular exosome 1 HSP90B1
endoplasmic reticulum 2 CYP2D6, HSP90B1
extracellular space 3 AVP, INS, TNF
perinuclear region of cytoplasm 3 EIF2AK2, HSP90B1, NOS2
intercalated disc 1 SCN2A
mitochondrion 1 CYP2D6
protein-containing complex 1 HSP90B1
intracellular membrane-bounded organelle 3 CEBPA, CYP2D6, CYP3A4
Microsome membrane 2 CYP2D6, CYP3A4
postsynaptic density 1 CASP3
Single-pass type I membrane protein 1 CA9
Secreted 2 AVP, INS
extracellular region 4 AVP, HSP90B1, INS, TNF
Single-pass membrane protein 1 CYP2D6
transcription regulator complex 4 CEBPA, DDIT3, HOXA9, TFDP3
external side of plasma membrane 1 TNF
T-tubule 1 SCN2A
beta-catenin destruction complex 1 AXIN2
nucleolus 2 CA9, CEBPA
midbody 1 HSP90B1
Cytoplasm, P-body 1 NOS2
P-body 1 NOS2
recycling endosome 1 TNF
Single-pass type II membrane protein 1 TNF
Cytoplasm, perinuclear region 2 EIF2AK2, NOS2
Membrane raft 1 TNF
Cytoplasm, cytoskeleton 1 KLHL41
focal adhesion 1 HSP90B1
cis-Golgi network 1 GORASP1
Peroxisome 1 NOS2
peroxisomal matrix 1 NOS2
collagen-containing extracellular matrix 1 HSP90B1
secretory granule 1 AVP
Cell projection, ruffle 1 KLHL41
Late endosome 1 DDIT3
ruffle 1 KLHL41
chromatin 4 CEBPA, DDIT3, HOXA9, TFDP3
phagocytic cup 1 TNF
cytoskeleton 1 KLHL41
Nucleus, nucleolus 1 CA9
Cell projection, microvillus membrane 1 CA9
microvillus membrane 1 CA9
Cul3-RING ubiquitin ligase complex 1 KLHL41
endosome lumen 1 INS
Cytoplasm, myofibril, sarcomere, M line 1 KLHL41
M band 1 KLHL41
Melanosome 1 HSP90B1
sperm plasma membrane 1 HSP90B1
pseudopodium 1 KLHL41
secretory granule lumen 1 INS
Golgi lumen 1 INS
endoplasmic reticulum lumen 2 HSP90B1, INS
voltage-gated calcium channel complex 1 CACNA1I
transport vesicle 1 INS
node of Ranvier 1 SCN2A
paranode region of axon 1 SCN2A
Sarcoplasmic reticulum membrane 1 KLHL41
Endoplasmic reticulum-Golgi intermediate compartment membrane 2 GORASP1, INS
neuronal dense core vesicle 1 AVP
Golgi apparatus, cis-Golgi network membrane 1 GORASP1
clathrin-coated endocytic vesicle membrane 1 AVP
Sarcoplasmic reticulum lumen 1 HSP90B1
protein-DNA complex 1 DDIT3
death-inducing signaling complex 1 CASP3
aminoacyl-tRNA synthetase multienzyme complex 1 AIMP2
Cell projection, pseudopodium 1 KLHL41
voltage-gated sodium channel complex 1 SCN2A
endocytic vesicle lumen 1 HSP90B1
ribosome 1 EIF2AK2
[Tumor necrosis factor, soluble form]: Secreted 1 TNF
cortical cytoskeleton 1 NOS2
endoplasmic reticulum chaperone complex 1 HSP90B1
C/EBP complex 1 CEBPA
CHOP-C/EBP complex 2 CEBPA, DDIT3
CHOP-ATF3 complex 1 DDIT3
CHOP-ATF4 complex 1 DDIT3
[Isoform 4]: Nucleus, nucleolus 1 CEBPA
[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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