Deltonin (BioDeep_00001867528)

Main id: BioDeep_00000000598

 

PANOMIX_OTCML-2023


代谢物信息卡片


(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5R,6R,7S,8R,9S,12S,13R,16S)-5,7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2-oxane]-16-yl]oxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

化学式: C45H72O17 (884.4769)
中文名称: 三角叶薯蓣皂甙, 三角叶薯蓣皂苷
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)OC1
InChI: InChI=1S/C45H72O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-35(52)33(50)31(48)21(3)56-40)37(54)38(29(17-47)59-42)60-41-36(53)34(51)32(49)28(16-46)58-41/h6,19-21,23-42,46-54H,7-18H2,1-5H3/t19-,20+,21+,23+,24-,25+,26+,27+,28-,29-,30+,31+,32-,33-,34+,35-,36-,37+,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1

描述信息

Deltonin is a triterpenoid.
Deltonin is a natural product found in Ophiopogon planiscapus, Allium vineale, and other organisms with data available.
Deltonin, a steroidal saponin, isolated from Dioscorea zingiberensis, has antitumor activity; Deltonin inhibits ERK1/2 and AKT activation.
Deltonin, a steroidal saponin, isolated from Dioscorea zingiberensis, has antitumor activity; Deltonin inhibits ERK1/2 and AKT activation.
Deltonin, a steroidal saponin, isolated from Dioscorea zingiberensis, has antitumor activity; Deltonin inhibits ERK1/2 and AKT activation.

同义名列表

11 个代谢物同义名

(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5R,6R,7S,8R,9S,12S,13R,16S)-5,7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2-oxane]-16-yl]oxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol; 2-[4-Hydroxy-6-(hydroxymethyl)-2-(5,7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2-oxane]-16-yl)oxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol; .BETA.-D-GLUCOPYRANOSIDE, (3.BETA.,25R)-SPIROST-5-EN-3-YL O-6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL-(1->2)-O-(.BETA.-D-GLUCOPYRANOSYL-(1->4))-; b-D-Glucopyranoside, (3b,25R)-spirost-5-en-3-ylO-6-deoxy-a-L-mannopyranosyl-(1®2)-O-[b-D-glucopyranosyl-(1®4)]-; beta-D-Glucopyranoside, (3beta,25R)-spirost-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(beta-D-glucopyranosyl-(1-4))-; (3beta,25R)-Spirost-5-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(beta-D-glucopyranosyl-(1-4))-beta-D-glucopyranoside; 3-O-.BETA.-D-GLUCOPYRANOSYL(1->4)-(.ALPHA.-L-RHAMNOPYRANOSYL(1->2))-.BETA.-D-GLUCOPYRANOSIDE-DIOSGENIN; UNII-39Y54R152I; 39Y54R152I; Deltonin; Deltonin



数据库引用编号

14 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)

13 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 14 AIMP2, ANG, BCL2, BECN1, CASP3, CASP9, CHEK2, MAPK3, MTOR, PIK3CA, PTK2, RB1, TLR4, VEGFA
Golgi apparatus, trans-Golgi network membrane 1 BECN1
Peripheral membrane protein 3 BECN1, MTOR, PTK2
Endosome membrane 2 BECN1, TLR4
Endoplasmic reticulum membrane 3 BCL2, BECN1, MTOR
Mitochondrion membrane 1 BECN1
Cytoplasmic vesicle, autophagosome 1 BECN1
Nucleus 13 AIMP2, ANG, BCL2, BECN1, CASP3, CASP9, CHEK2, KDR, MAPK3, MTOR, PTK2, RB1, VEGFA
autophagosome 1 BECN1
cytosol 11 AIMP2, ANG, BCL2, BECN1, CASP3, CASP9, MAPK3, MTOR, PIK3CA, PTK2, RB1
dendrite 2 BECN1, MTOR
mitochondrial membrane 1 BECN1
nuclear body 1 BECN1
phagocytic vesicle 2 BECN1, MTOR
phosphatidylinositol 3-kinase complex, class III 1 BECN1
trans-Golgi network 1 BECN1
centrosome 1 PTK2
nucleoplasm 5 CASP3, CHEK2, MAPK3, MTOR, RB1
Cell membrane 4 KDR, P2RY4, PTK2, TLR4
Cytoplasmic side 2 MTOR, PTK2
lamellipodium 1 PIK3CA
Multi-pass membrane protein 1 P2RY4
Golgi apparatus membrane 1 MTOR
cell cortex 1 PTK2
cell junction 1 KDR
cell surface 2 TLR4, VEGFA
glutamatergic synapse 3 CASP3, MAPK3, P2RY4
Golgi apparatus 4 CHEK2, KDR, MAPK3, VEGFA
Golgi membrane 1 MTOR
growth cone 1 ANG
lysosomal membrane 1 MTOR
neuronal cell body 2 ANG, CASP3
Cytoplasm, cytosol 1 AIMP2
Lysosome 1 MTOR
endosome 2 BECN1, KDR
plasma membrane 7 F2, KDR, MAPK3, P2RY4, PIK3CA, PTK2, TLR4
Membrane 5 AIMP2, BCL2, MTOR, TLR4, VEGFA
apical plasma membrane 1 P2RY4
basolateral plasma membrane 1 P2RY4
caveola 1 MAPK3
extracellular exosome 1 F2
Lysosome membrane 1 MTOR
endoplasmic reticulum 4 BCL2, BECN1, KDR, VEGFA
extracellular space 3 ANG, F2, VEGFA
perinuclear region of cytoplasm 3 PIK3CA, PTK2, TLR4
adherens junction 1 VEGFA
intercalated disc 1 PIK3CA
mitochondrion 3 BCL2, CASP9, MAPK3
protein-containing complex 2 BCL2, CASP9
intracellular membrane-bounded organelle 1 PTK2
Microsome membrane 1 MTOR
postsynaptic density 1 CASP3
TORC1 complex 1 MTOR
TORC2 complex 1 MTOR
Single-pass type I membrane protein 1 TLR4
Secreted 3 ANG, F2, VEGFA
extracellular region 4 ANG, F2, KDR, VEGFA
Mitochondrion outer membrane 2 BCL2, MTOR
Single-pass membrane protein 1 BCL2
mitochondrial outer membrane 2 BCL2, MTOR
[Isoform 2]: Secreted 1 KDR
anchoring junction 2 KDR, PTK2
Cytoplasm, cytoskeleton, microtubule organizing center, centrosome 1 PTK2
Nucleus membrane 1 BCL2
Bcl-2 family protein complex 1 BCL2
nuclear membrane 1 BCL2
external side of plasma membrane 2 KDR, TLR4
Secreted, extracellular space, extracellular matrix 1 VEGFA
actin cytoskeleton 1 ANG
dendritic spine 1 PTK2
nucleolus 1 ANG
Early endosome 3 KDR, MAPK3, TLR4
presynaptic active zone membrane 1 P2RY4
Cytoplasm, perinuclear region 1 PTK2
Membrane raft 1 KDR
pore complex 1 BCL2
Cell junction, focal adhesion 2 MAPK3, PTK2
Cytoplasm, cytoskeleton 1 PTK2
focal adhesion 2 MAPK3, PTK2
spindle 1 RB1
extracellular matrix 1 VEGFA
basement membrane 1 ANG
Nucleus, PML body 1 MTOR
PML body 3 CHEK2, MTOR, RB1
collagen-containing extracellular matrix 1 F2
secretory granule 1 VEGFA
Cell projection, ruffle 1 TLR4
Late endosome 1 MAPK3
ruffle 1 TLR4
receptor complex 2 KDR, TLR4
ciliary basal body 1 PTK2
chromatin 1 RB1
cell projection 1 PTK2
phagocytic cup 1 TLR4
Chromosome 1 ANG
cytoskeleton 2 MAPK3, PTK2
Cytoplasm, cytoskeleton, cilium basal body 1 PTK2
Nucleus, nucleolus 1 ANG
Cytoplasm, cell cortex 1 PTK2
blood microparticle 1 F2
nuclear envelope 2 MAPK3, MTOR
Endomembrane system 1 MTOR
sorting endosome 1 KDR
Membrane, caveola 1 MAPK3
phagophore assembly site 1 BECN1
phosphatidylinositol 3-kinase complex, class III, type I 1 BECN1
phosphatidylinositol 3-kinase complex, class III, type II 1 BECN1
Cytoplasm, Stress granule 1 ANG
cytoplasmic stress granule 1 ANG
myelin sheath 1 BCL2
pseudopodium 1 MAPK3
stress fiber 1 PTK2
lipopolysaccharide receptor complex 1 TLR4
Golgi lumen 1 F2
endoplasmic reticulum lumen 2 F2, MAPK3
platelet alpha granule lumen 1 VEGFA
phosphatidylinositol 3-kinase complex 1 PIK3CA
phosphatidylinositol 3-kinase complex, class IA 1 PIK3CA
endocytic vesicle 1 ANG
SWI/SNF complex 1 RB1
apoptosome 1 CASP9
death-inducing signaling complex 1 CASP3
aminoacyl-tRNA synthetase multienzyme complex 1 AIMP2
Cytoplasmic vesicle, phagosome 1 MTOR
angiogenin-PRI complex 1 ANG
chromatin lock complex 1 RB1
Rb-E2F complex 1 RB1
BAD-BCL-2 complex 1 BCL2
[N-VEGF]: Cytoplasm 1 VEGFA
[VEGFA]: Secreted 1 VEGFA
[Isoform L-VEGF189]: Endoplasmic reticulum 1 VEGFA
[Isoform VEGF121]: Secreted 1 VEGFA
[Isoform VEGF165]: Secreted 1 VEGFA
VEGF-A complex 1 VEGFA
cytoplasmic side of mitochondrial outer membrane 1 BECN1
phosphatidylinositol 3-kinase complex, class IB 1 PIK3CA
caspase complex 1 CASP9
[Beclin-1-C 35 kDa]: Mitochondrion 1 BECN1
[Beclin-1-C 37 kDa]: Mitochondrion 1 BECN1


文献列表

  • Xuejiao Li, Chengcheng Zhao, Songsong Jing, Jiachen Sun, Xia Li, Shuli Man, Ying Wang, Wenyuan Gao. Novel phenanthrene and isocoumarin from the rhizomes of Dioscorea nipponica Makino subsp. rosthornii (Prain et Burkill) C. T. Ting (Dioscoreaceae). Bioorganic & medicinal chemistry letters. 2017 08; 27(15):3595-3601. doi: 10.1016/j.bmcl.2017.03.095. [PMID: 28606759]
  • Lu Zheng, Yuan Zhou, Jia-Yu Zhang, Min Song, Ye Yuan, Yan-Jiao Xiao, Ting Xiang. Two new steroidal saponins from the rhizomes of Dioscorea zingiberensis. Chinese journal of natural medicines. 2014 Feb; 12(2):142-7. doi: 10.1016/s1875-5364(14)60023-6. [PMID: 24636066]
  • Dan Du, Bo Gao, Guang Xin, Aimin Sun, Baozhan Huang, Rui Zhang, Zhihua Xing, Qianming Chen, Yang He, Wen Huang. Determination of deltonin in rat plasma by using HPLC-MS/MS and the application of this method in pharmacokinetic studies. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences. 2013 Jul; 931(?):1-5. doi: 10.1016/j.jchromb.2013.05.005. [PMID: 23747424]
  • Kee Dong Yoon, Young-Won Chin, Min Hye Yang, Janggyoo Choi, Jinwoong Kim. Application of high-speed countercurrent chromatography-evaporative light scattering detection for the separation of seven steroidal saponins from Dioscorea villosa. Phytochemical analysis : PCA. 2012 Sep; 23(5):462-8. doi: 10.1002/pca.2342. [PMID: 22407490]
  • Dan Shu, Yong Qing, Qingyi Tong, Yang He, Zhihua Xing, Yinglan Zhao, Yi Li, Yuquan Wei, Wen Huang, Xiaohua Wu. Deltonin isolated from Dioscorea zingiberensis inhibits cancer cell growth through inducing mitochondrial apoptosis and suppressing Akt and mitogen activated protein kinase signals. Biological & pharmaceutical bulletin. 2011; 34(8):1231-9. doi: 10.1248/bpb.34.1231. [PMID: 21804211]
  • Kee Dong Yoon, Jinwoong Kim. Preparative separation of dioscin derivatives from Dioscorea villosa by centrifugal partition chromatography coupled with evaporative light scattering detection. Journal of separation science. 2008 Jul; 31(13):2486-91. doi: 10.1002/jssc.200800136. [PMID: 18646278]
  • Shi-Hui Qian, Li-Hong Yuan, Nian-Yun Yang, Ping-Kai Ouyang. [Study on steroidal compounds from Dioscorea zingiberensis]. Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials. 2006 Nov; 29(11):1174-6. doi: . [PMID: 17228657]