Compound Summary

  Compound Information

TCMBANKIN011697

药名:	theobromine
别名:	KBio1_000611; Thesodate; DivK1c_000611; Theostene; NCGC00016023-02; Thesal; 2,6-Dihydroxy-3,7-dimethylpurine; CAS-83-67-0; NCGC00024123-04; 3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione; MLS000028407; NCGC00016023-01; T4500_SIGMA; Spectrum2_000985; Spectrum3_000279; Theosalvose; 37T; SMR000058357; Theobromine [BAN]; Xanthine, 3,7-dimethyl-; Theobromine (natural); SPBio_002868; BRN 0016464; 83-67-0; KBio2_000433; AIDS022717; Theobromine; 3,7-dimethylpurine-2,6-dione; 1H-purine-2,6-dione,3,7-dihydro-3,7- dimethyl- (9CI); EU-0101187; 3,7-Dihydro-3,7-dimethyl-1H-purine-2,6-dione; 3,7-Dimethylxanthine; ZINC00002151; NSC5039; Spectrum_000053; NSC 5039; 5-26-13-00553 (Beilstein Handbook Reference); BPBio1_001043; Lopac-T-4500; SDCCGMLS-0002875.P003; Prestwick1_000874; Spectrum5_001387; Prestwick0_000874; Prestwick3_000874; KBio2_003001; KBioSS_000433; KBio3_001258; NCGC00024123-05; IDI1_000611; BSPBio_000947; 5-26-13-00553 (Beilstein); WLN: T56 BN DN FNVMVJ B1 F1; KBio2_005569; SPBio_001049; KBioGR_000666; Theobromin; Lopac0_001187; PDSP2_001001; Santheose; BSPBio_001758; AIDS-022717; SBB012378; SC 15090; FEMA No. 3591; CCRIS 2350; EINECS 201-494-2; Prestwick2_000874; PDSP1_001017; CHEBI:28946; Spectrum4_000403; Prestwick_1054; Teobromin; NINDS_000611; Diurobromine; LS-1828; 2,6-Dihydroxy-3,7-dimethyl-purine; 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-; C07480; c1095; NCGC00024123-08; SPECTRUM1500649
分子式:	C7H8N4O2
Smiles:	CN1C=NC2=C1C(=O)NC(=O)N2C
成分:	HBIN046280
OB_score:	69.28672
CAS_id:	83-67-0
SymMap_id:	SMIT08131
TCMID_id:	21294
TCMSP_id:	MOL006527
PubChem_id:	5429
DrugBank_id:	DB01412

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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

TCMBANKHE001722	Scurrura atropurpurea	黑子梨果寄生			Anticarcinoma.
TCMBANKHE005064	Pimpinella thelungiana	羊红膻			To boost qi and fortify spleen, nourish heart and quiet spirit, relieve cough and dispel phlegm./Kersan disease, palpitation and shortness of breath, cough.
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.
TCMBANKHE004250	Theobroma cacao	可可			To warm yang, disinhibit urine, raise spirit.
TCMBANKHE008373	Paullinia cupana	巴西香无患子
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

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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
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
TCMBANKGE000766	ACHE	ACEE; ARACHE; N-ACHE; YT	acetylcholinesterase (Cartwright blood group)
TCMBANKGE000903	PTGS1	COX1; COX3; PCOX1; PES-1; PGG/HS; PGHS-1; PGHS1; PHS1; PTGHS	prostaglandin-endoperoxide synthase 1
TCMBANKGE000938	CDK2	CDKN2; p33(CDK2)	cyclin dependent kinase 2
TCMBANKGE001073	PTGS2	COX-2; COX2; GRIPGHS; PGG/HS; PGHS-2; PHS-2; hCox-2	prostaglandin-endoperoxide synthase 2
TCMBANKGE001089	PARP1	ADPRT; ADPRT 1; ADPRT1; ARTD1; PARP; PARP-1; PPOL; pADPRT-1	poly(ADP-ribose) polymerase 1
TCMBANKGE001755	MAOB	-	monoamine oxidase B
TCMBANKGE005975	ADORA1	RDC7	adenosine A1 receptor
TCMBANKGE006339	CA2	CA-II; CAC; CAII; Car2; HEL-76; HEL-S-282	carbonic anhydrase 2
TCMBANKGE009758	PDE3A	CGI-PDE; CGI-PDE A; CGI-PDE-A; HTNB	phosphodiesterase 3A
TCMBANKGE011079	PRSS1	TRP1; TRY1; TRY4; TRYP1	serine protease 1
TCMBANKGE011799	PDE4B	DPDE4; PDEIVB	phosphodiesterase 4B