1-O-Galloylpedunculagin (BioDeep_00000007941)

 

Secondary id: BioDeep_00000622543, BioDeep_00000897352

human metabolite PANOMIX_OTCML-2023


代谢物信息卡片


7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0^{2,19}.0^{5,10}.0^{11,16}.0^{26,31}.0^{32,37}]nonatriaconta-5(10),6,8,11,13,15,26(31),27,29,32,34,36-dodecaen-20-yl 3,4,5-trihydroxybenzoate

化学式: C41H28O26 (936.0869)
中文名称:
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 73.68%

分子结构信息

SMILES: C1C2C(C3C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5C6=C(C(=C(C=C6C(=O)O3)O)O)O)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)O)O)O)O)O)O
InChI: InChI=1S/C41H28O26/c42-13-1-8(2-14(43)24(13)48)36(57)67-41-35-34(65-39(60)11-5-17(46)27(51)31(55)22(11)23-12(40(61)66-35)6-18(47)28(52)32(23)56)33-19(63-41)7-62-37(58)9-3-15(44)25(49)29(53)20(9)21-10(38(59)64-33)4-16(45)26(50)30(21)54/h1-6,19,33-35,41-56H,7H2

描述信息

Tannin from Rubus fruticosus (blackberry) and Rubus idaeus (raspberry). 1-O-Galloylpedunculagin is found in fruits, red raspberry, and cloves.
Casuarictin is found in acorn. Casuarictin is isolated from Corylus heterophylla (Siberian filbert).

同义名列表

5 个代谢物同义名

7,8,9,12,13,14,28,29,30,33,34,35-dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0^{2,19}.0^{5,10}.0^{11,16}.0^{26,31}.0^{32,37}]nonatriaconta-5(10),6,8,11,13,15,26(31),27,29,32,34,36-dodecaen-20-yl 3,4,5-trihydroxybenzoate; 7,8,9,12,13,14,28,29,30,33,34,35-Dodecahydroxy-4,17,25,38-tetraoxo-3,18,21,24,39-pentaoxaheptacyclo[20.17.0.0²,¹⁹.0⁵,¹⁰.0¹¹,¹⁶.0²⁶,³¹.0³²,³⁷]nonatriaconta-5,7,9,11,13,15,26,28,30,32,34,36-dodecaen-20-yl 3,4,5-trihydroxybenzoic acid; 1-O-Galloylpedunculagin; Casuarictin; Casuarictin



数据库引用编号

15 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)

9 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 12 ALB, APP, BCL2, CASP3, CASP8, CASP9, FASN, GK2, NKX2-5, TLR3, TYR, XDH
Endosome membrane 2 APH1B, TLR3
Endoplasmic reticulum membrane 3 APH1B, BCL2, TLR3
Nucleus 8 ALB, APP, BCL2, CASP3, CASP8, CASP9, CEBPA, NKX2-5
cytosol 9 ALB, APP, BCL2, CASP3, CASP8, CASP9, FASN, GK2, XDH
dendrite 1 APP
centrosome 1 ALB
nucleoplasm 4 CASP3, CASP8, CEBPA, NKX2-5
RNA polymerase II transcription regulator complex 2 CEBPA, NKX2-5
Cell membrane 2 APP, GLP1R
lamellipodium 1 CASP8
Cell projection, growth cone 1 APP
Multi-pass membrane protein 2 APH1B, GLP1R
Synapse 1 APP
cell surface 1 APP
ciliary rootlet 1 APP
dendritic shaft 1 APP
gamma-secretase complex 1 APH1B
glutamatergic synapse 1 CASP3
Golgi apparatus 3 ALB, APP, FASN
Golgi membrane 2 APH1B, TLR3
growth cone 1 APP
lysosomal membrane 2 GAA, TLR3
mitochondrial inner membrane 1 APP
neuromuscular junction 1 APP
neuronal cell body 1 CASP3
smooth endoplasmic reticulum 1 APP
synaptic vesicle 1 APP
Lysosome 2 GAA, TYR
endosome 1 APP
plasma membrane 8 APH1B, APP, FASN, GAA, GCG, GLP1R, IFNLR1, TLR3
presynaptic active zone 1 APP
Membrane 8 APH1B, APP, BCL2, FASN, GAA, GLP1R, IFNLR1, TLR3
axon 1 APP
extracellular exosome 5 ALB, APP, FASN, GAA, GK2
Lysosome membrane 1 GAA
endoplasmic reticulum 4 ALB, APH1B, APP, BCL2
extracellular space 6 ALB, APP, CXCL8, GCG, TLR3, XDH
lysosomal lumen 1 GAA
perinuclear region of cytoplasm 2 APP, TYR
mitochondrion 4 BCL2, CASP8, CASP9, GK2
protein-containing complex 5 ALB, BCL2, CASP8, CASP9, NKX2-5
intracellular membrane-bounded organelle 3 CEBPA, GAA, TYR
postsynaptic density 1 CASP3
Single-pass type I membrane protein 4 APP, IFNLR1, TLR3, TYR
Secreted 5 ALB, APP, CXCL8, GAA, GCG
extracellular region 5 ALB, APP, CXCL8, GAA, GCG
Mitochondrion outer membrane 2 BCL2, GK2
Single-pass membrane protein 2 BCL2, TLR3
mitochondrial outer membrane 3 BCL2, CASP8, GK2
anchoring junction 1 ALB
transcription regulator complex 2 CEBPA, NKX2-5
Nucleus membrane 1 BCL2
Bcl-2 family protein complex 1 BCL2
nuclear membrane 1 BCL2
dendritic spine 1 APP
perikaryon 1 APP
cytoplasmic vesicle 1 APP
nucleolus 1 CEBPA
Melanosome membrane 1 TYR
Early endosome 2 APP, TLR3
Membrane, clathrin-coated pit 1 APP
apical part of cell 1 APP
cell-cell junction 1 APP
clathrin-coated pit 1 APP
COPII-coated ER to Golgi transport vesicle 1 APP
Golgi-associated vesicle 2 APP, TYR
recycling endosome 1 APP
spindle midzone 1 APP
vesicle 1 APP
Cell projection, lamellipodium 1 CASP8
Membrane raft 1 APP
pore complex 1 BCL2
extracellular matrix 1 TLR3
Peroxisome 1 XDH
sarcoplasmic reticulum 1 XDH
receptor complex 1 APP
ciliary basal body 1 ALB
chromatin 2 CEBPA, NKX2-5
cytoskeleton 1 CASP8
centriole 1 ALB
spindle pole 1 ALB
blood microparticle 1 ALB
sperm midpiece 1 GK2
endosome lumen 1 APP
tertiary granule membrane 1 GAA
Melanosome 2 FASN, TYR
cell body 1 CASP8
myelin sheath 1 BCL2
sperm mitochondrial sheath 1 GK2
trans-Golgi network membrane 1 APP
secretory granule lumen 1 GCG
Golgi lumen 1 APP
endoplasmic reticulum lumen 3 ALB, APP, GCG
platelet alpha granule lumen 2 ALB, APP
transport vesicle 1 APH1B
azurophil granule membrane 1 GAA
Single-pass type IV membrane protein 1 GK2
nuclear envelope lumen 1 APP
apoptosome 1 CASP9
protein-DNA complex 1 NKX2-5
ficolin-1-rich granule membrane 1 GAA
endolysosome membrane 1 TLR3
CD95 death-inducing signaling complex 1 CASP8
death-inducing signaling complex 2 CASP3, CASP8
ripoptosome 1 CASP8
[Glucagon-like peptide 1]: Secreted 1 GCG
[C83]: Endoplasmic reticulum 1 APP
[C99]: Early endosome 1 APP
[Soluble APP-beta]: Secreted 1 APP
[Amyloid-beta protein 40]: Cell surface 1 APP
[Amyloid-beta protein 42]: Cell surface 1 APP
[Gamma-secretase C-terminal fragment 59]: Nucleus 1 APP
autolysosome lumen 1 GAA
BAD-BCL-2 complex 1 BCL2
C/EBP complex 1 CEBPA
CHOP-C/EBP complex 1 CEBPA
glycogen granule 1 FASN
ciliary transition fiber 1 ALB
[Isoform 4]: Nucleus, nucleolus 1 CEBPA
Nkx-2.5 complex 1 NKX2-5
caspase complex 1 CASP9
interleukin-28 receptor complex 1 IFNLR1


文献列表

  • Marja Kähkönen, Petri Kylli, Velimatti Ollilainen, Juha-Pekka Salminen, Marina Heinonen. Antioxidant activity of isolated ellagitannins from red raspberries and cloudberries. Journal of agricultural and food chemistry. 2012 Feb; 60(5):1167-74. doi: 10.1021/jf203431g. [PMID: 22229937]
  • S Mohd Joffry, N J Yob, M S Rofiee, M M R Meor Mohd Affandi, Z Suhaili, F Othman, A Md Akim, M N M Desa, Z A Zakaria. Melastoma malabathricum (L.) Smith Ethnomedicinal Uses, Chemical Constituents, and Pharmacological Properties: A Review. Evidence-based complementary and alternative medicine : eCAM. 2012; 2012(?):258434. doi: 10.1155/2012/258434. [PMID: 22242040]
  • Juliana Rodrigues, Daniel Rinaldo, Marcelo Aparecido da Silva, Lourdes Campaner dos Santos, Wagner Vilegas. Secondary metabolites of Miconia rubiginosa. Journal of medicinal food. 2011 Jul; 14(7-8):834-9. doi: 10.1089/jmf.2010.0157. [PMID: 21480804]
  • Takashi Yoshida, Yoshiaki Amakura, Morio Yoshimura. Structural features and biological properties of ellagitannins in some plant families of the order Myrtales. International journal of molecular sciences. 2010 Jan; 11(1):79-106. doi: 10.3390/ijms11010079. [PMID: 20162003]
  • Takashi Yoshida, Hideyuki Ito, Isaza Jose Hipolito. Pentameric ellagitannin oligomers in melastomataceous plants--chemotaxonomic significance. Phytochemistry. 2005 Sep; 66(17):1972-83. doi: 10.1016/j.phytochem.2005.01.006. [PMID: 16153403]
  • H J Kim, J S Lee, E R Woo, M K Kim, B S Yang, Y G Yu, H Park, Y S Lee. Isolation of virus-cell fusion inhibitory components from Eugenia caryophyllata. Planta medica. 2001 Apr; 67(3):277-9. doi: 10.1055/s-2001-11993. [PMID: 11345703]