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Compound Description

ID:   C1205 Common name:   Caffeine
IUPAC:  1,3,7-trimethylpurine-2,6-dione CAS:  CAS:58-08-2
Chembl ID:   CHEMBL113 Pubchem ID:   CID:2519
Formula:  C8H10N4O2 TCM-ID:  TCMC850
Smiles:  CN1C=NC2=C1C(=O)N(C(=O)N2C)C
Alias:

Caffeine;

3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione;

1,3,7-Trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione;

1,3,7-Trimethyl-2,6-dioxopurine;

1,3,7-Trimethyl-3,7-dihydro-purine-2,6-dione;

1,3,7-Trimethyl-7H-purine-2,6-dione;

1,3,7-Trimethylxanthine;

7-Methyltheophylline;

Alert-Pep;

Asia migrine;

Cafalgine;

Cafeina;

Caffedrine;

Caffein;

Cafipel;

DHCplus;

Dasin;

Diurex;

Durvitan;

Guaranine;

Koffein;

Mateina;

Methyltheobromine;

Midron extra;

Miudol;

NSC 5036;

New Cetamol;

No-Doz;

Palergot-C;

Phensal;

Refresh'n;

Shape Plus;

Stay Alert;

Stim;

Synalgos;

Thein;

Theine;

Tri-Aqua;

Vivarin;

Wigraine
Structure:

Related Targets  (Total: 69)

Target idProtein NameGene SymbolUniprot IDTarget LevelNo.of Literature Evidence
T35LKG Adenosine receptor A1ADORA1 P30542
 A 1 Reference(s)
T77M4W Adenosine receptor A2aADORA2A P29274
 A 3 Reference(s)
T20NCI Serine-protein kinase ATMATM Q13315
 A 2 Reference(s)
T74RBE Inositol 1,4,5-trisphosphate receptor type 1ITPR1 Q14643
 A 2 Reference(s)
T84VZG Ryanodine receptor 1RYR1 P21817
 A 11 Reference(s)
T19CTK Serine/threonine-protein kinase ATRATR Q13535
 A 3 Reference(s)
T13KGH TyrosinaseTYR P14679
 A 1 Reference(s)
T20RA0 Adenosine deaminaseADA P00813
 A 1 Reference(s)
T67OMA Ryanodine receptor 2RYR2 Q92736
 A 1 Reference(s)
T45LZI Calcium release-activated calcium channel protein 1ORAI1 Q96D31
 A 1 Reference(s)
T49UAP Ras-specific guanine nucleotide-releasing factor 1RASGRF1 Q13972
 B 1 Reference(s)
T95IYZ AdiponectinADIPOQ Q15848
 B 1 Reference(s)
T79WXA Mitogen-activated protein kinase 1MAPK1 P28482
 B 1 Reference(s)
T33JS5 CCN family member 2CCN2 P29279
 B 1 Reference(s)
T83YZD AcetylcholinesteraseACHE P22303
 B 1 Reference(s)
T68SE0 Solute carrier family 2, facilitated glucose transporter member 4SLC2A4 P14672
 B 2 Reference(s)
T44LWL Transcription factor p65RELA Q04206
 B 1 Reference(s)
T55EFK Transcription factor E2F1E2F1 Q01094
 B 1 Reference(s)
T45B9P ATP-sensitive inward rectifier potassium channel 11KCNJ11 Q14654
 B 1 Reference(s)
T64W2K Cyclin-dependent kinase inhibitor 1CDKN1A P38936
 B 1 Reference(s)
T23P74 Caspase-9CASP9 P55211
 B 1 Reference(s)
T85U8U Caspase-3CASP3 P42574
 B 2 Reference(s)
T02QBS Cytochrome P450 1A2CYP1A2 P05177
 B 1 Reference(s)
T75H3W Cyclin-dependent kinase 2CDK2 P24941
 B 2 Reference(s)
T07TMB Cyclin-dependent kinase 1CDK1 P06493
 B 3 Reference(s)
T82JWE Cellular tumor antigen p53TP53 P04637
 B 1 Reference(s)
T80TUC Apoptosis regulator BAXBAX Q07812
 B 1 Reference(s)
T24D36 Transcription factor A, mitochondrialTFAM Q00059
 B 1 Reference(s)
T23XLR Serine/threonine-protein kinase Nek11NEK11 Q8NG66
 B 1 Reference(s)
T84ELW Myocyte-specific enhancer factor 2AMEF2A Q02078
 B 1 Reference(s)
T82SDM Myocyte-specific enhancer factor 2DMEF2D Q14814
 B 1 Reference(s)
T26KIE Transcription factor AP-1JUN P05412
 B 1 Reference(s)
T58CAO Alpha-synucleinSNCA P37840
 B 1 Reference(s)
T42PUG Solute carrier family 2, facilitated glucose transporter member 1SLC2A1 P11166
 B 1 Reference(s)
T67ZT3 Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTENPTEN P60484
 B 1 Reference(s)
T60DN8 Bcl-2-like protein 11BCL2L11 O43521
 B 1 Reference(s)
T82G3R Integrin beta-3ITGB3 P05106
 C 1 Reference(s)
T92BZ2 Catenin beta-1CTNNB1 P35222
 C 1 Reference(s)
T29GRI Gamma-aminobutyric acid receptor subunit alpha-2GABRA2 P47869
 C 1 Reference(s)
T63FRM Lutropin subunit betaLHB P01229
 C 1 Reference(s)
T87C4J Follitropin subunit betaFSHB P01225
 C 1 Reference(s)
T22Y9W Neuropeptide S receptorNPSR1 Q6W5P4
 C 1 Reference(s)
T89L4V InsulinINS P01308
 C 1 Reference(s)
T87N33 Zinc finger homeobox protein 3ZFHX3 Q15911
 C 1 Reference(s)
T23B68 Immediate early response gene 5 proteinIER5 Q5VY09
 C 1 Reference(s)
T66A7X Activity-regulated cytoskeleton-associated proteinARC Q7LC44
 C 1 Reference(s)
T23VMI Tumor necrosis factorTNF P01375
 C 1 Reference(s)
T33OPP Interleukin-6IL6 P05231
 C 1 Reference(s)
T73LNN Neuropeptide SNPS P0C0P6
 C 1 Reference(s)
T37ADS Early growth response protein 1EGR1 P18146
 C 3 Reference(s)
T48ZIG D(2) dopamine receptorDRD2 P14416
 C 1 Reference(s)
T63GUB Proto-oncogene c-FosFOS P01100
 C 1 Reference(s)
T92E71 Corticosteroid 11-beta-dehydrogenase isozyme 2HSD11B2 P80365
 C 1 Reference(s)
T40DIM Corticosteroid 11-beta-dehydrogenase isozyme 1HSD11B1 P28845
 C 1 Reference(s)
T08Q7W Prostaglandin G/H synthase 2PTGS2 P35354
 C 1 Reference(s)
T08Q1T Amiloride-sensitive sodium channel subunit alphaSCNN1A P37088
 C 1 Reference(s)
T36PZ1 Tryptophan 5-hydroxylase 2TPH2 Q8IWU9
 C 2 Reference(s)
T13I7C Transforming growth factor beta-2 proproteinTGFB2 P61812
 C 1 Reference(s)
T12T4H Brain-derived neurotrophic factorBDNF P23560
 C 1 Reference(s)
T56RMM DNADNMT3A Q9Y6K1
 C 1 Reference(s)
T50WOV ATP-dependent translocase ABCB1ABCB1 P08183
 C 1 Reference(s)
T88TDZ RAC-alpha serine/threonine-protein kinaseAKT1 P31749
 C 1 Reference(s)
T28HOM LeptinLEP P41159
 C 1 Reference(s)
T41BXR NAD-dependent protein deacetylase sirtuin-3, mitochondrialSIRT3 Q9NTG7
 C 1 Reference(s)
T27J4O Gamma-aminobutyric acid receptor subunit rho-1GABRR1 P24046
 C 1 Reference(s)
T47G3X Glucocorticoid receptorNR3C1 P04150
 C 1 Reference(s)
T78C6N Cathepsin KCTSK P43235
 C 1 Reference(s)
T20P3F Tartrate-resistant acid phosphatase type 5ACP5 P13686
 C 1 Reference(s)
T81I4T 5'-AMP-activated protein kinase catalytic subunit alpha-1PRKAA1 Q13131
 C 2 Reference(s)

*In this table, target level represents the quality confidence indicators of targets.
Level 'A' represents "Directly inhibit/activate".
Level 'B' represents "Indirectly inhibit/ activate", "Enzyme substate" and "Enzyme product".
Level 'C' represents "Up/Down regulation" and "Others".

Related Herbs  (Total: 15)

Herb idChinese Pin YinChinese CharacterEnglish NameLatin Name
H1033 Fang Ji防己 Fourstamen stephaniaStephania tetrandra
H0615 Wu Zhi Mao Tao五指毛桃 five-finger fig rootFicus simplicissima
H0637 Cha Ye茶叶 Common teaCamellia sinensis
H1240 Huang Jing Zi黄荆子 NAVitex negundo
H0341 Qing Feng Teng青风藤 OrientvineSinomenium acutum
H1004 Bai Cha白茶 White teaCamellia sinensis
H1207 Hu Ma胡麻 white seed of oriental sesameSesamum indicum
H0360 Ren Zhong Bai人中白 Human urine sedimentHomo sapiens
H0847 Zi He Che紫河车 Human placentaHomo sapiens
H0603 Wu Tong Ye Jin Gao梧桐叶浸膏 Parasol treesFirmiana simplex
H1212 Hu Ye Gan Jin Gao槲叶干浸膏 NAQuercus dentata
H1181 Hei Zhi Ma黑芝麻 Oriental sesameSesamum indicum
H1029 Fang Er Cha方儿茶 khair in hindiSenegalia catechu
H0087 Ju Gu Ye枸骨叶 FOLIUM iLICIS cORNUTAEIlex cornuta
H1208 Hu Ma Ren胡麻仁 white seed of oriental sesameSesamum indicum

Ckey description of the interaction between compound and target


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