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 (784.0759204)
中文名称:
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 93.33%

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

3 个代谢物同义名

数据库引用编号

17 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

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)

134 个相关的物种来源信息

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

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。

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]