Pedunculagin (BioDeep_00000007958)

PANOMIX_OTCML-2023

代谢物信息卡片

(2S,22R)-7,8,9,12,13,14,20,28,29,30,33,34,35-tridecahydroxy-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-dodecaene-4,17,25,38-tetrone

化学式: C34H24O22 (784.0759)
中文名称:
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 87.5%

分子结构信息

SMILES: C1C2C(C3C(C(O2)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O1)O)O)O)O)O)O
InChI: InChI=1S/C34H24O22/c35-10-1-6-15(23(43)19(10)39)16-7(2-11(36)20(40)24(16)44)31(48)54-27-14(5-52-30(6)47)53-34(51)29-28(27)55-32(49)8-3-12(37)21(41)25(45)17(8)18-9(33(50)56-29)4-13(38)22(42)26(18)46/h1-4,14,27-29,34-46,51H,5H2/t14-,27-,28+,29-,34?/m1/s1

描述信息

同义名列表

4 个代谢物同义名

数据库引用编号

18 个数据库交叉引用编号

ChEBI: CHEBI:545507
ChEBI: CHEBI:7948
KEGG: C10236
PubChem: 118701411
PubChem: 442688
PubChem: 72565327
Metlin: METLIN68189
ChEMBL: CHEMBL506204
KNApSAcK: C00002932
CAS: 7045-42-3
PMhub: MS000116483
PMhub: MS000097453
PMhub: MS000021482
PubChem: 12422
3DMET: B05424
NIKKAJI: J339.289I
RefMet: Pedunculagin
KNApSAcK: 7948

分类词条

Tannins

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)

67 个相关的物种来源信息

74656 - Agrimonia pilosa: 10.1248/CPB.32.2165
1155249 - Alchemilla xanthochlora: 10.1055/S-2006-959510
109061 - Alnus hirsuta: 10.1016/0031-9422(92)80195-K
253221 - Alnus sieboldiana: 10.1248/CPB.37.2655
38787 - Betula pubescens: 10.1016/S0031-9422(00)00502-1
1671326 - Bredia fordii: 10.1016/S0031-9422(00)90372-8
2293656 - Bredia tuberculata: 10.1016/S0031-9422(00)90372-8
319926 - Camellia hongkongensis:
4443 - Camellia japonica:
16922 - Camptotheca acuminata: 10.1248/CPB.36.2017
78631 - Carpinus laxiflora: 10.3987/COM-91-S49
60419 - Castanea mollissima: 10.1016/0031-9422(88)80299-1
3956 - Combretum indicum: 10.1002/JCCS.199700025
43233 - Elaeagnus umbellata:
183808 - Eucalyptus alba: 10.1248/CPB.40.1750
87674 - Eucalyptus nitens: 10.1002/PCA.548
1046480 - Euphorbia makinoi: 10.1248/CPB.42.2005
212836 - Euphorbia prostrata: 10.1248/CPB.42.2005
1738577 - Euphorbia scordiifolia: 10.1016/0031-9422(90)85288-Q
101012 - Fragaria nipponica: 10.1016/0031-9422(92)83451-4
714473 - Geum aleppicum:
61283 - Geum calthifolium: 10.1016/0031-9422(92)83451-4
321607 - Geum japonicum: 10.1021/NP9801458
32229 - Geum macrophyllum: 10.1021/NP9801458
4400 - Liquidambar styraciflua: 10.1016/0031-9422(93)85229-K
13129 - Lythrum salicaria: 10.1515/ZNC-2001-1-203
40716 - Paeonia obovata: 10.1248/CPB.48.201
91224 - Platycarya strobilacea: 10.1021/NP960483D
40009 - Pleroma urvilleanum: 10.1248/CPB.39.2233
57940 - Potentilla erecta: 10.1055/S-2006-959510
1082504 - Potentilla kleiniana: 10.1248/CPB.32.2165
120290 - Psidium guajava: 10.1248/CPB.40.2092
22663 - Punica granatum: 10.1248/BPB.16.787
58330 - Quercus acutissima: 10.1016/0031-9422(95)00378-K
58335 - Quercus coccifera: 10.1021/NP010465I
38865 - Quercus petraea: 10.1021/NP50112A010
38942 - Quercus robur:
58331 - Quercus suber: 10.1021/NP010465I
74652 - Rosa laevigata: 10.1016/S0031-9422(00)98003-8
74654 - Rosa roxburghii: 10.1248/CPB.35.1817
74645 - Rosa rugosa:
321604 - Rubus buergeri: 10.1248/CPB.41.1214
714495 - Rubus chingii: 10.1248/CPB.41.1214
714648 - Rubus cochinchinensis: 10.1016/0031-9422(92)83451-4
190223 - Rubus corchorifolius: 10.1248/CPB.41.1214
321593 - Rubus coreanus: 10.1016/0031-9422(92)83451-4
75067 - Rubus crataegifolius:
75068 - Rubus deliciosus: 10.1016/0031-9422(92)83451-4
321600 - Rubus hirsutus:
32247 - Rubus idaeus: 10.1248/CPB.41.1214
75113 - Rubus lambertianus: 10.1016/0031-9422(92)83451-4
2823979 - Rubus medius: 10.1016/0031-9422(92)83451-4
1540538 - Rubus nishimuranus: 10.1016/0031-9422(92)83451-4
190230 - Rubus palmatus:
176136 - Rubus parvifolius:
75085 - Rubus phoenicolasius:
211815 - Rubus plicatus: 10.1016/0031-9422(92)83451-4
2823971 - Rubus sieboldii:
75096 - Rubus trifidus: 10.1016/0031-9422(92)83451-4
2823976 - Rubus utchinensis: 10.1016/0031-9422(92)83451-4
137457 - Sanguisorba officinalis:
176135 - Sanguisorba tenuifolia:
148907 - Sieversia pentapetala: 10.1016/0031-9422(92)83451-4
420630 - Siphoneugena densiflora: 10.1002/PS.1278
85277 - Stachyurus praecox: 10.1039/P19830001765
219865 - Syzygium aqueum: 10.1248/CPB.40.2671
260143 - Syzygium samarangense: 10.1248/CPB.40.2671

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	7	ACE2, AIMP2, ANG, IL13, PRKX, PTGS2, VEGFA
Peripheral membrane protein	1	PTGS2
Endoplasmic reticulum membrane	1	PTGS2
Nucleus	5	AIMP2, ANG, CA9, PRKX, VEGFA
cytosol	3	AIMP2, ANG, GPT
nucleoplasm	1	PRKX
Cell membrane	3	ACE2, CA9, GLP1R
Multi-pass membrane protein	1	GLP1R
cell surface	3	ACE2, C3, VEGFA
Golgi apparatus	1	VEGFA
growth cone	1	ANG
lysosomal membrane	1	GAA
neuronal cell body	1	ANG
Cytoplasm, cytosol	1	AIMP2
Lysosome	1	GAA
plasma membrane	6	ACE2, C3, CA9, GAA, GCG, GLP1R
Membrane	7	ACE2, AIMP2, CA9, GAA, GLP1R, HGF, VEGFA
apical plasma membrane	1	ACE2
basolateral plasma membrane	2	ALPK2, CA9
caveola	1	PTGS2
extracellular exosome	5	ACE2, C3, COL1A2, GAA, GPT
Lysosome membrane	1	GAA
endoplasmic reticulum	2	PTGS2, VEGFA
extracellular space	12	ACE2, ANG, C3, CCL2, COL1A2, CTRL, CXCL8, GCG, HGF, IL10, IL13, VEGFA
lysosomal lumen	1	GAA
adherens junction	1	VEGFA
protein-containing complex	2	C3, PTGS2
intracellular membrane-bounded organelle	1	GAA
Microsome membrane	1	PTGS2
Single-pass type I membrane protein	2	ACE2, CA9
Secreted	11	ACE2, ANG, C3, CCL2, COL1A2, CXCL8, GAA, GCG, IL10, IL13, VEGFA
extracellular region	12	ACE2, ANG, C3, CCL2, COL1A2, CXCL8, GAA, GCG, HGF, IL10, IL13, VEGFA
Cell projection, cilium	1	ACE2
external side of plasma membrane	1	IL13
Secreted, extracellular space, extracellular matrix	2	COL1A2, VEGFA
actin cytoskeleton	1	ANG
nucleolus	2	ANG, CA9
Apical cell membrane	1	ACE2
Membrane raft	1	ACE2
extracellular matrix	1	VEGFA
basement membrane	1	ANG
collagen trimer	1	COL1A2
collagen-containing extracellular matrix	1	COL1A2
secretory granule	1	VEGFA
Nucleus inner membrane	1	PTGS2
Nucleus outer membrane	1	PTGS2
nuclear inner membrane	1	PTGS2
nuclear outer membrane	1	PTGS2
neuron projection	1	PTGS2
cilium	1	ACE2
Chromosome	1	ANG
brush border membrane	1	ACE2
Nucleus, nucleolus	2	ANG, CA9
blood microparticle	1	C3
Basolateral cell membrane	1	ALPK2
Cell projection, microvillus membrane	1	CA9
microvillus membrane	1	CA9
tertiary granule membrane	1	GAA
Cytoplasm, Stress granule	1	ANG
cytoplasmic stress granule	1	ANG
secretory granule lumen	2	C3, GCG
endoplasmic reticulum lumen	5	ACE2, C3, COL1A2, GCG, PTGS2
platelet alpha granule lumen	2	HGF, VEGFA
endocytic vesicle membrane	1	ACE2
endocytic vesicle	1	ANG
azurophil granule membrane	1	GAA
azurophil granule lumen	1	C3
ficolin-1-rich granule membrane	1	GAA
aminoacyl-tRNA synthetase multienzyme complex	1	AIMP2
[Glucagon-like peptide 1]: Secreted	1	GCG
collagen type I trimer	1	COL1A2
angiogenin-PRI complex	1	ANG
autolysosome lumen	1	GAA
[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
[Processed angiotensin-converting enzyme 2]: Secreted	1	ACE2
[Isoform 2]: Apical cell membrane	1	ACE2

文献列表

Amanda Silva Fernandes, Jefferson Hollanda Véras, Luana Santos Silva, Sara Cristina Puga, Elisa Flávia Luiz Cardoso Bailão, Matheus Gabriel de Oliveira, Clever Gomes Cardoso, Cristiene Costa Carneiro, Suzana Da Costa Santos, Lee Chen-Chen. Pedunculagin isolated from Plinia cauliflora seeds exhibits genotoxic, antigenotoxic and cytotoxic effects in bacteria and human lymphocytes. Journal of toxicology and environmental health. Part A. 2022 05; 85(9):353-363. doi: 10.1080/15287394.2021.2009947. [PMID: 34875975]
Min Kim, Jun Yin, In Hyeok Hwang, Dong Hui Park, Eun Kyeong Lee, Min Ji Kim, Min Won Lee. Anti-Acne Vulgaris Effects of Pedunculagin from the Leaves of Quercus mongolica by Anti-Inflammatory Activity and 5α-Reductase Inhibition. Molecules (Basel, Switzerland). 2020 May; 25(9):. doi: 10.3390/molecules25092154. [PMID: 32380665]
Jun Yin, Han Hyuk Kim, In Hyeok Hwang, Dong Hee Kim, Min Won Lee. Anti-Inflammatory Effects of Phenolic Compounds Isolated from Quercus Mongolica Fisch. ex Ledeb. on UVB-Irradiated Human Skin Cells. Molecules (Basel, Switzerland). 2019 Aug; 24(17):. doi: 10.3390/molecules24173094. [PMID: 31454971]
Rangel Moreira Silva, Luciane Dias Pereira, Jefferson Hollanda Véras, Camila Regina do Vale, Lee Chen-Chen, Suzana da Costa Santos. Protective effect and induction of DNA repair by Myrciaria cauliflora seed extract and pedunculagin on cyclophosphamide-induced genotoxicity. Mutation research. Genetic toxicology and environmental mutagenesis. 2016 Nov; 810(?):40-47. doi: 10.1016/j.mrgentox.2016.10.001. [PMID: 27776690]
Tian-Peng Yin, Le Cai, Yang Chen, Ying Li, Ya-Rong Wang, Chuan-Shui Liu, Zhong-Tao Ding. Tannins and Antioxidant Activities of the Walnut (Juglans regia) Pellicle. Natural product communications. 2015 Dec; 10(12):2141-4. doi: . [PMID: 26882685]
I Abe, Y Kashiwagi, H Noguchi, T Tanaka, Y Ikeshiro, Y Kashiwada. Ellagitannins and hexahydroxydiphenoyl esters as inhibitors of vertebrate squalene epoxidase. Journal of natural products. 2001 Aug; 64(8):1010-4. doi: 10.1021/np010100y. [PMID: 11520216]
H Dong, S X Chen, R M Kini, H X Xu. Effects of tannins from Geum japonicum on the catalytic activity of thrombin and factor Xa of blood coagulation cascade. Journal of natural products. 1998 Nov; 61(11):1356-60. doi: 10.1021/np9801458. [PMID: 9834152]
S S Huang, S F Yeh, C Y Hong. Effect of anthraquinone derivatives on lipid peroxidation in rat heart mitochondria: structure-activity relationship. Journal of natural products. 1995 Sep; 58(9):1365-71. doi: 10.1021/np50123a005. [PMID: 7494143]