Compound Summary

  Compound Information

TCMBANKIN033678

药名:	caffeine
别名:	NCGC00015208-02; DHCplus; KBio2_001781; W222402_ALDRICH; NINDS_000730; EINECS 200-362-1; Spectrum5_000423; BSPBio_001921; KBio1_000730; ACon1_000085; Probes1_000150; Quick-Pep; D00528; AIDS001649; WLN: T56 BN DN FNVNVJ B1 F1 H1; 1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione; SK 65 Compound; NCGC00090699-07; KBio2_006917; Stim; Caffeina [Italian]; 1,3,7-trimethylpurine-2,6-dione; PDSP2_001219; C7731_SIAL; KBioSS_001781; Caffein; Miudol; Nix Nap; nchembio774-comp2; Nodaca; Caffeine (natural); Cafeina; CFF; Caffeine solution; 7-methyltheophylline; 3,7-Dihydro-1,3,7-trimethyl-1H-purin-2,6-dion (coffein); Bio1_000962; TNP00310; 75035_FLUKA; 1,3,7-Trimethyl-2,6-dioxopurine; NCGC00090699-08; Caffeine, anhydrous; Koffein [German]; C1778_SIAL; Dexitac; 3,7-dihydro-1,3,7-trimethyl-1H-purine; 3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione; Durvitan; PDSP2_001000; MLS001066409; Eldiatric C; SPECTRUM1500155; cafeine; Koffein; NCIOpen2_008255; BRN 0017705; 71701-02-5; C8960_SIAL; Bio1_001451; MLS001056714; Caffeine (USP); caffenium; SPBio_001222; 27602_FLUKA; 95789-13-2; Spectrum3_000321; Cafecon; Thein; NCGC00015208-01; Coffeinum; 1-methyltheobromine; Mettler Toledo Calibration substance ME 18872, Caffeine; Kofein [Czech]; NSC 5036; Spectrum_001301; NCGC00090699-04; Bayer Select Headache Pain; Theine; Guaranine; KBio3_001141; NSC5036; 1,3,7-trimethyl-2,6-dioxo-1,2,3,6-tetrahydropurine; Spectrum2_001261; EU-0100228; Probes2_000128; MEGxp0_001350; Anhydrous caffeine (TN); 1,3,7-Trimethylxanthine; 58-08-2; Caffedrine; C07481; No-Doz; PDSP1_001016; 3,7-Dihydro-1,3,7-trimethyl-1H-purin-2,6-dion; InChI=1/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H; Phensal; Refresh'n; KBio2_004349; AIDS-001649; Tri-Aqua; Lopac0_000228; ZINC00001084; teina; Methyltheobromine; IDI1_000730; Caffeine, synthetic; 5-26-13-00558 (Beilstein); LS-187843; Theophylline Me; 5-26-13-00558 (Beilstein Handbook Reference); Coffein [German]; C6035_SIGMA; HSDB 36; DivK1c_000730; SDCCGMLS-0064595.P001; KBioGR_002325; NCI-C02733; SBB006474; Spectrum4_001782; Coffeine; Anhydrous caffeine; SMR000326667; 1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-; Theobromine, 1-methyl-; Theophylline, 7-methyl; MolMap_000054; NCGC00090699-01; Theobromine Me; LS-237; Cafamil; Cafipel; c1094; AI3-20154; SDCCGMLS-0064595.P002; Xanthine, 1,3,7-trimethyl; Bio1_000473; Mateina; Methylxanthine theophylline; FEMA No. 2224; CHEBI:27732; Tirend; component of P-A-C Compound; Caffeine; Organex; NCGC00090699-03; component of Cafergot; CCRIS 1314; Methyltheobromide; Lopac-C-0750; 3,7-dihydro-1,3,7-trimethyl-1H-purine (9CI); Alert-Pep; C0750_SIAL; PDSP1_001235; Anhydrous caffeine (JP15); Vivarin; Caffeine [BAN:JAN]; Coffein; Caffine
分子式:	C8H10N4O2
Smiles:	CN1C=NC2=C1C(=O)N(C(=O)N2C)C
成分:	HBIN019307
OB_score:	89.458168
CAS_id:	71701-02-5
SymMap_id:	SMIT00544
TCMID_id:	2892
TCMSP_id:	MOL003973
PubChem_id:	2519

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   化合物对应的植物

植物ID	拉丁名	药用植物名	药名	来源	功能与主治	使用民族

TCMBANKHE000969	Concha Haliotidis	石决明			Treatment of headache and dizziness, blurred vision due to nebula, optic atrophy and night blindness./1. Improves eyesight.2. Haemostatic.
TCMBANKHE001683		三七花
TCMBANKHE001722	Scurrura atropurpurea	黑子梨果寄生			Anticarcinoma.
TCMBANKHE001960		梧桐根
TCMBANKHE002690		梧桐花
TCMBANKHE003734	radix tripterygii wilfordii	雷公藤			To expel wind-dampness, relieve swelling, alleviate pain and dredge the meridian passage./Rheumatoid arthritis, rheumatic arthritis, glomerulonephritis, nephropathy syndrome, erythematous lupus, dryness in eyes and mouth, Behcet’s syndrome, psoriasis, eczema, leprosy, scab sore, intractable lichen.
TCMBANKHE007658	Cola acuminata	苏丹可乐果			To raise spirit.
TCMBANKHE003986		苦丁茶			Common cold, summerheat stroke with fever, jaundice, acute gastroenteritis, bacillary dysentery, sore and boil.
TCMBANKHE004022	Cordyceps	冬虫夏草			To tonify the lung and the kidney, arrest bleeding, and dispel phlegm./Impotence and emission, neurasthenia, backache, aching in lumbus and knees, enduring cough and vacuity asthma, taxation damage hemoptysis.
TCMBANKHE008269		枸骨根
TCMBANKHE008268		枸骨子
TCMBANKHE004660	Coffea excelsa	高咖啡
TCMBANKHE004767	Firmiana simplex	梧桐叶			To lower cholesterol, clear heat and calm liver, dispel wind and eliminate damp, clear heat and resolve toxin./Hyperlipemia, hypertension, wind-damp pain, numbness and paralysis, swelling toxin of sore and welling abscess, hemorrhoids, shank sore, bleeding due to external injury, hypertension.
TCMBANKHE004892	Firmiana simplex	梧桐白皮			To lower cholesterol, clear heat and calm liver, dispel wind and eliminate damp, quicken blood and relieve pain./Hyperlipemia, hypertension, wind-damp impediment pain, knocks and falls, menstrual disorder, hemorrhoids, erysipelas.
TCMBANKHE005270		梧桐子			Hyperlipemia, food damage, stomachache, mounting qi, infant mouth sore.
TCMBANKHE005312	Coffea arabica	小果咖啡			To arouse spirit, disinhibit urine, fortify stomach./Fatigued spirit, inappetence.
TCMBANKHE005389	Murraya paniculata var. exotica	小叶九里香			See Murraya paniculata./See Murraya paniculata.
TCMBANKHE006309	Ilex cornuta	枸骨树皮			To supplement yin, boost liver and kidney, strengthen lumbus and legs./Liver kidney vacuity, weakness in lumbus and knees.
TCMBANKHE006673	Ilex paraguariensis	巴拉圭茶			To clear heat and resolve toxin, eliminate inflammation, suppress cough and dispel phlegm, promote contraction, disinhibit urine, free stool, induce sweat[5509]./Rheumatis, scurvy, heart disease, stomach disease, diabetes[5509].
TCMBANKHE006061	Fructus Evodiae	吴茱萸			1. To dispel cold and stop pain; 2. To pacify the liver and direct rebellious qi downward; 3. To stop vomiting/Dysentery, cold pain in stomach duct and abdomen, reverting yin headache, mounting qi , dysmenorrhea, beriberi with edema, hyperchlorhydria, cold-damp diarrhea.
TCMBANKHE006183	Coffea liberica	大果咖啡			See Coffea arabica./See Coffea arabica.
TCMBANKHE007875	Phlomis tuberosa	块茎糙苏			To resolve toxin and disperse swelling, quicken blood and regulate menstruation./Menstrual disorder, syphilis, swelling of sores.
TCMBANKHE008373	Paullinia cupana	巴西香无患子
TCMBANKHE004238/YEM-1014	Phellodendron amurense;Cortex Phellodendri|Phellodendron chinense Schneid var.glabriusculum Schneid.	黄柏|秃叶黄蘗	广西黄柏	云南民族药物志：第五卷	1. To clear heat and dry dampness; 2. To reduce fire and release toxins/Damp-heat dysentery, tuberculosis, epidemic meningitis, acute conjunctivitis, trachoma, fever, abdominal pain, diarrhea, suppurative hematochezia, tenesmus, jaundice, yellow thick foul leukorrhagia, swelling pain in knees and feet, urinary tract infection, boil, sore, ulcer, eczema, mouth sore, hemorrhoids, burns, scalds, exuberance of fire with tidal fever, tidal fever with night sweat, emission.	瑶族/壮族
TCMBANKHE006288/YEM-259/XU-440	Camellia sinensis [Syn. Thea sinensis]|Camellia sinensis (L.)O.Kuntze var.assamica(Masters)Kitam.|Camellia sinensis	茶子|普洱茶|茶	普洱茶	云南民族药物志：第二卷|云南省昭通市盐津县	To downbear fire, transform phlegm and calm asthma./Phlegm-heat cough, ringing in head.	傣族/哈尼族/彝族/藏族
TCMBANKHE006880/YEM-259/XU-440	Camellia sinensis var. assamica|Camellia sinensis (L.)O.Kuntze var.assamica(Masters)Kitam.|Camellia sinensis	普洱茶|茶	普洱茶	云南民族药物志：第二卷|云南省昭通市盐津县	To engender liquid and allay thirst, expel phlegm and precipitate qi./Sand qi abdominal pain, cholera, dysentery.	傣族/哈尼族/彝族/藏族
TCMBANKHE008990/YEM-259/XU-440	Camellia sinensis [Syn. Thea sinensis]|Camellia sinensis (L.)O.Kuntze var.assamica(Masters)Kitam.|Camellia sinensis	茶树根|普洱茶|茶	普洱茶	云南民族药物志：第二卷|云南省昭通市盐津县	To strengthen heart and disinhibit urine, quicken blood and regulate menstruation, clear heat and resolve toxin./Edema due to heart disease, hepatitis, dysmenorrhea, toxin swelling of sores, mouth sore, burns and scalds, zoster, psoriasis.	傣族/哈尼族/彝族/藏族
TCMBANKHE002425/YEM-259/XU-440	Folium camelliae sinensis|Camellia sinensis (L.)O.Kuntze var.assamica(Masters)Kitam.|Camellia sinensis	绿茶|普洱茶|茶	普洱茶	云南民族药物志：第二卷|云南省昭通市盐津县		傣族/哈尼族/彝族/藏族
TCMBANKHE006388/YEM-259/XU-440	Camellia sinensis [Syn. Thea sinensis]|Camellia sinensis (L.)O.Kuntze var.assamica(Masters)Kitam.|Camellia sinensis	茶叶|普洱茶|茶	普洱茶	云南民族药物志：第二卷|云南省昭通市盐津县	To clear head and eyes, eliminate vexation and allay thirst, disperse food, transform phlegm, disinhibit urine, resolve toxin./Headache, dim vision, red eyes, desire to sleep, common cold, vexation and thirst, food accumulation, bad breath, phlegm asthma, epilepsy, inhibited urination, diarrhea, throat swelling, swelling of sores and boils, burns and scalds.	傣族/哈尼族/彝族/藏族
TCMBANKHE005461/YEM-426	Rhizoma Curculiginis|Curculigo orchioides Gaertn.	仙茅	仙茅	云南民族药物志：第三卷	To reinforce the kidney yang, to strengthen the tendons and bones,and to dispel cold-damp./Impotence seminal cool, limp wilting sinew and bone, cold impediment in lumbus and knees, yang vacuity cold diarrhea.	阿昌族/白族/布依族/傣族/德昂族/哈尼族/基诺族/景颇族/傈僳族/苗族/佤族/彝族/壮族

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   植物对应的疾病

疾病ID	病名	疾病类型	MeSH	参考文献

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   化合物对应的靶点

靶点ID	基因名	基因别名	描述

TCMBANKGE000015	ADORA2A	A2aR; ADORA2; RDC8	adenosine A2a receptor
TCMBANKGE000052	TNF	DIF; TNF-alpha; TNFA; TNFSF2; TNLG1F	tumor necrosis factor
TCMBANKGE000181	PIM1	PIM	Pim-1 proto-oncogene, serine/threonine kinase
TCMBANKGE000197	KCNJ11	BIR; HHF2; IKATP; KIR6.2; MODY13; PHHI; PNDM2; TNDM3	potassium inwardly rectifying channel subfamily J member 11
TCMBANKGE000205	NOS2	HEP-NOS; INOS; NOS; NOS2A	nitric oxide synthase 2
TCMBANKGE000221	GRIA2	GLUR2; GLURB; GluA2; GluR-K2; HBGR2; gluR-2; gluR-B	glutamate ionotropic receptor AMPA type subunit 2
TCMBANKGE000225	TFAM	MTDPS15; MTTF1; MTTFA; TCF6; TCF6L1; TCF6L2; TCF6L3	transcription factor A, mitochondrial
TCMBANKGE000230	ADIPOQ	ACDC; ACRP30; ADIPQTL1; ADPN; APM-1; APM1; GBP28	adiponectin, C1Q and collagen domain containing
TCMBANKGE000247	SLC2A4	GLUT4	solute carrier family 2 member 4
TCMBANKGE000258	EGR1	AT225; G0S30; KROX-24; NGFI-A; TIS8; ZIF-268; ZNF225	early growth response 1
TCMBANKGE000261	INS	IDDM; IDDM1; IDDM2; ILPR; IRDN; MODY10; PNDM4	insulin
TCMBANKGE000294	CDKN1A	CAP20; CDKN1; CIP1; MDA-6; P21; SDI1; WAF1; p21CIP1	cyclin dependent kinase inhibitor 1A
TCMBANKGE000313	JUN	AP-1; AP1; c-Jun; cJUN; p39	Jun proto-oncogene, AP-1 transcription factor subunit
TCMBANKGE000633	ADRB2	ADRB2R; ADRBR; B2AR; BAR; BETA2AR	adrenoceptor beta 2
TCMBANKGE000713	CCN2	CTGF; HCS24; IGFBP8; NOV2	cellular communication network factor 2
TCMBANKGE000766	ACHE	ACEE; ARACHE; N-ACHE; YT	acetylcholinesterase (Cartwright blood group)
TCMBANKGE000813	DPP4	ADABP; ADCP2; CD26; DPPIV; TP103	dipeptidyl peptidase 4
TCMBANKGE000867	ITGB3	BDPLT16; BDPLT2; CD61; GP3A; GPIIIa; GT	integrin subunit beta 3
TCMBANKGE000869	DRD2	D2DR; D2R	dopamine receptor D2
TCMBANKGE000903	PTGS1	COX1; COX3; PCOX1; PES-1; PGG/HS; PGHS-1; PGHS1; PHS1; PTGHS	prostaglandin-endoperoxide synthase 1
TCMBANKGE000923	CDK1	CDC2; CDC28A; P34CDC2	cyclin dependent kinase 1
TCMBANKGE000938	CDK2	CDKN2; p33(CDK2)	cyclin dependent kinase 2
TCMBANKGE001047	E2F1	E2F-1; RBAP1; RBBP3; RBP3	E2F transcription factor 1
TCMBANKGE001073	PTGS2	COX-2; COX2; GRIPGHS; PGG/HS; PGHS-2; PHS-2; hCox-2	prostaglandin-endoperoxide synthase 2
TCMBANKGE001074	ATM	AT1; ATA; ATC; ATD; ATDC; ATE; TEL1; TELO1	ATM serine/threonine kinase
TCMBANKGE001114	IL6	BSF-2; BSF2; CDF; HGF; HSF; IFN-beta-2; IFNB2; IL-6	interleukin 6
TCMBANKGE001123	CTNNB1	CTNNB; EVR7; MRD19; NEDSDV; armadillo	catenin beta 1
TCMBANKGE001131	CASP9	APAF-3; APAF3; ICE-LAP6; MCH6; PPP1R56	caspase 9
TCMBANKGE001132	BAX	BCL2L4	BCL2 associated X, apoptosis regulator
TCMBANKGE001156	CASP3	CPP32; CPP32B; SCA-1	caspase 3
TCMBANKGE001177	TP53	BCC7; BMFS5; LFS1; P53; TRP53	tumor protein p53
TCMBANKGE001184	RELA	CMCU; NFKB3; p65	RELA proto-oncogene, NF-kB subunit
TCMBANKGE001197	FOS	AP-1; C-FOS; p55	Fos proto-oncogene, AP-1 transcription factor subunit
TCMBANKGE001201	MAPK3	ERK-1; ERK1; ERT2; HS44KDAP; HUMKER1A; P44ERK1; P44MAPK; PRKM3; p44-ERK1; p44-MAPK	mitogen-activated protein kinase 3
TCMBANKGE001203	MAPK1	ERK; ERK-2; ERK2; ERT1; MAPK2; P42MAPK; PRKM1; PRKM2; p38; p40; p41; p41mapk; p42-MAPK	mitogen-activated protein kinase 1
TCMBANKGE001585	ZFHX3	ATBF1; ATBT; C16orf47; ZFH-3; ZNF927	zinc finger homeobox 3
TCMBANKGE001750	IER5	SBBI48	immediate early response 5
TCMBANKGE002073	MEF2A	ADCAD1; RSRFC4; RSRFC9; mef2	myocyte enhancer factor 2A
TCMBANKGE002102	RUNX1T1	AML1-MTG8; AML1T1; CBFA2T1; CDR; ETO; MTG8; ZMYND2	RUNX1 partner transcriptional co-repressor 1
TCMBANKGE002550	NPSR1	ASRT2; GPR154; GPRA; NPSR; PGR14; VRR1	neuropeptide S receptor 1
TCMBANKGE003210	POLD1	CDC2; CRCS10; MDPL; POLD	DNA polymerase delta 1, catalytic subunit
TCMBANKGE003984	TDP1	-	tyrosyl-DNA phosphodiesterase 1
TCMBANKGE004460	RASGRF1	CDC25; CDC25L; GNRP; GRF1; GRF55; H-GRF55; PP13187; ras-GRF1	Ras protein specific guanine nucleotide releasing factor 1
TCMBANKGE005560	DBT	BCATE2; BCKAD-E2; BCKADE2; BCOADC-E2; E2; E2B	dihydrolipoamide branched chain transacylase E2
TCMBANKGE005913	MEF2D	-	myocyte enhancer factor 2D
TCMBANKGE005975	ADORA1	RDC7	adenosine A1 receptor
TCMBANKGE006339	CA2	CA-II; CAC; CAII; Car2; HEL-76; HEL-S-282	carbonic anhydrase 2
TCMBANKGE006911	GABRA2	EIEE78	gamma-aminobutyric acid type A receptor subunit alpha2
TCMBANKGE009256	SLC6A2	NAT1; NET; NET1; SLC6A5	solute carrier family 6 member 2
TCMBANKGE009758	PDE3A	CGI-PDE; CGI-PDE A; CGI-PDE-A; HTNB	phosphodiesterase 3A
TCMBANKGE010306	FSHB	HH24	follicle stimulating hormone subunit beta
TCMBANKGE010384	NEK11	-	NIMA related kinase 11
TCMBANKGE010520	CRLF1	CISS; CISS1; CLF; CLF-1; NR6; zcytor5	cytokine receptor like factor 1
TCMBANKGE011654	NPS	-	neuropeptide S
TCMBANKGE011799	PDE4B	DPDE4; PDEIVB	phosphodiesterase 4B
TCMBANKGE012410	ARC	Arg3.1; hArc	activity regulated cytoskeleton associated protein
TCMBANKGE014050	GABRA1	ECA4; EIEE19; EJM; EJM5	gamma-aminobutyric acid type A receptor subunit alpha1
TCMBANKGE014118	LHB	CGB4; HH23; LSH-B; LSH-beta	luteinizing hormone subunit beta
TCMBANKGE014385	CHRNA4	BFNC; EBN; EBN1; NACHR; NACHRA4; NACRA4	cholinergic receptor nicotinic alpha 4 subunit
TCMBANKGE014772	ADORA3	A3AR	adenosine A3 receptor
TCMBANKGE015090	CYP1A2	CP12; CYPIA2; P3-450; P450(PA)	cytochrome P450 family 1 subfamily A member 2