theobromine

chemical compound

Wikidata entity: Q206844

C₇H₈N₄O₂ (P274)


Wikimedia Commons category is Theobromine



Quantities

P4250defined daily dose4
P2067mass180.065
P2101melting point348
P2101melting point351

P3780 active ingredient in ... Q195 (chocolate) chocolate
P233 canonical SMILES String CN1C=NC2=C1C(=O)NC(=O)N2C ???
P373 Commons category String Theobromine ???
P1343 described by source ... Q2041543 (Otto's encyclopedia) Otto's encyclopedia
P1343 described by source ... Q19219752 (Meyers Konversations-Lexikon, 4th edition (1885–1890)) Meyers Konversations-Lexikon, 4th edition (1885–1890)
P1889 different from ... Q879 (bromine) bromine
P703 found in taxon ... Q41350 (Citrus × paradisi) Citrus × paradisi
P703 found in taxon ... Q42385 (cacao) cacao
P703 found in taxon ... Q47685 (Coffea arabica) Coffea arabica
P703 found in taxon ... Q101815 (Camellia sinensis) Camellia sinensis
P703 found in taxon ... Q80024 (pomelo) pomelo
P703 found in taxon ... Q117068 (yerba mate) yerba mate
P703 found in taxon ... Q157885 (Festuca ovina) Festuca ovina
P703 found in taxon ... Q160121 (Camellia japonica) Camellia japonica
P703 found in taxon ... Q161791 (Festuca pratensis) Festuca pratensis
P703 found in taxon ... Q209089 (guarana) guarana
P703 found in taxon ... Q212815 (Camellia) Camellia
P703 found in taxon ... Q522881 (Cola acuminata) Cola acuminata
P703 found in taxon ... Q1144414 (Theobroma grandiflorum) Theobroma grandiflorum
P703 found in taxon ... Q1185081 (Cola nitida) Cola nitida
P703 found in taxon ... Q2498293 (Camellia oleifera) Camellia oleifera
P703 found in taxon ... Q2590046 (Camellia sasanqua) Camellia sasanqua
P703 found in taxon ... Q2738168 (Pseudomonas putida) Pseudomonas putida
P703 found in taxon ... Q3772280 (Ilex guayusa) Ilex guayusa
P703 found in taxon ... Q10301054 (Ilex perado) Ilex perado
P703 found in taxon ... Q10933100 (Camellia multisepala) Camellia multisepala
P703 found in taxon ... Q10936833 (Camellia taliensis) Camellia taliensis
P703 found in taxon ... Q11126720 (Camellia ptilophylla) Camellia ptilophylla
P703 found in taxon ... Q15354793 (Scurrula atropurpurea) Scurrula atropurpurea
P703 found in taxon ... Q15381679 (Ilex argentina) Ilex argentina
P703 found in taxon ... Q15381882 (Ilex brevicuspis) Ilex brevicuspis
P703 found in taxon ... Q15381981 (Ilex dumosa) Ilex dumosa
P703 found in taxon ... Q15383151 (Ilex pseudobuxus) Ilex pseudobuxus
P703 found in taxon ... Q15383645 (Ilex microdonta) Ilex microdonta
P703 found in taxon ... Q15393341 (Ilex theezans) Ilex theezans
P703 found in taxon ... Q15430240 (Coffea homollei) Coffea homollei
P703 found in taxon ... Q15430383 (Coffea kianjavatensis) Coffea kianjavatensis
P703 found in taxon ... Q15430556 (Coffea lancifolia) Coffea lancifolia
P703 found in taxon ... Q17580586 (Herrania mariae) Herrania mariae
P703 found in taxon ... Q15385060 (Theobroma mammosum) Theobroma mammosum
P703 found in taxon ... Q15385929 (Theobroma speciosum) Theobroma speciosum
P703 found in taxon ... Q15390799 (Camellia irrawadiensis) Camellia irrawadiensis
P703 found in taxon ... Q21004587 (Citrus grandis) Citrus grandis
P703 found in taxon ... Q21398959 (Camellia vernalis) Camellia vernalis
P1552 has characteristic ... Q1517187 (bitterness) bitterness
P527 has part(s) ... Q623 (carbon) carbon
P527 has part(s) ... Q627 (nitrogen) nitrogen
P527 has part(s) ... Q629 (oxygen) oxygen
P366 has use ... Q12140 (medication) medication
P31 instance of ... Q113145171 (type of chemical entity) type of chemical entity
P361 part of ... Q27124976 (theobromine:S-adenosyl-L-methionine 1-N-methyltransferase activity) theobromine:S-adenosyl-L-methionine 1-N-methyltransferase activity
P129 physically interacts with ... Q24770266 (taste receptor type 2) taste receptor type 2
P279 subclass of ... Q2118866 (purine alkaloid) purine alkaloid
P279 subclass of ... Q32906982 (dimethylxanthine) dimethylxanthine
P2868 subject has role ... Q742487 (nootropic) nootropic
P2868 subject has role ... Q927234 (bronchodilator) bronchodilator
P2868 subject has role ... Q4008956 (vasodilator agent) vasodilator agent

External Ids
P267ATC codeC03BD01
P267ATC codeR03DA07
P5019Brockhaus Enzyklopädie online IDtheobromin
P11931CAMEO Chemicals ID21098
P11160Cannabis Database ID005294
P231CAS Registry Number83-67-0
P6852CCDC Number130731
P683ChEBI ID28946
P592ChEMBL IDCHEMBL1114
P661ChemSpider ID5236
P3073CosIng number80760
P11375CSD RefcodeSEDNAQ
P6706De Agostini IDteobromìna
P715DrugBank IDDB01412
P11198DrugCentral ID2618
P8494DSSTOX compound identifierDTXCID506132
P3117DSSTox substance IDDTXSID9026132
P232EC number201-494-2
P2566ECHA Substance Infocard ID100.001.359
P4746Elhuyar ZTH ID031073
P10565Encyclopedia of China (Third Edition) ID493785
P1417Encyclopædia Britannica Online IDscience/theobromine
P9066FL number16.032
P646Freebase ID/m/07ndr
P1578Gmelin number143367
P12385Gran Enciclopèdia Catalana IDteobromina
P1296Gran Enciclopèdia Catalana ID (former scheme)0145627
P4342Great Norwegian Encyclopedia IDteobromin
P2924Great Russian Encyclopedia Online ID (old version)4187513
P7982Hrvatska enciklopedija ID60830
P2062HSDB ID7332
P2057Human Metabolome Database IDHMDB0002825
P4168IEDB Epitope ID613459
P234InChIInChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)
P235InChIKeyYAPQBXQYLJRXSA-UHFFFAOYSA-N
P665KEGG IDC07480
P2064KNApSAcK IDC00001509
P8313Lex IDtheobromin
P6689MassBank accession IDMSBNK-BGC_Munich-RP012201
P6689MassBank accession IDMSBNK-BGC_Munich-RP012202
P6689MassBank accession IDMSBNK-BGC_Munich-RP012203
P6689MassBank accession IDMSBNK-Fac_Eng_Univ_Tokyo-JP002808
P6689MassBank accession IDMSBNK-Keio_Univ-KO004122
P6689MassBank accession IDMSBNK-Keio_Univ-KO004123
P6689MassBank accession IDMSBNK-Keio_Univ-KO004124
P6689MassBank accession IDMSBNK-Keio_Univ-KO004125
P6689MassBank accession IDMSBNK-Keio_Univ-KO004126
P6689MassBank accession IDMSBNK-Univ_Connecticut-CO000476
P6689MassBank accession IDMSBNK-Univ_Connecticut-CO000477
P6689MassBank accession IDMSBNK-Univ_Connecticut-CO000478
P6689MassBank accession IDMSBNK-Univ_Connecticut-CO000479
P6689MassBank accession IDMSBNK-Univ_Connecticut-CO000480
P6689MassBank accession IDMSBNK-Washington_State_Univ-BML01074
P6689MassBank accession IDMSBNK-Washington_State_Univ-BML01082
P6689MassBank accession IDMSBNK-Washington_State_Univ-BML82245
P6689MassBank accession IDMSBNK-Washington_State_Univ-BML82247
P6694MeSH concept IDM0021284
P486MeSH descriptor IDD013805
P672MeSH tree codeD03.132.960.651
P672MeSH tree codeD03.633.100.759.758.824.651
P6366Microsoft Academic ID (discontinued)2779765676
P2115NDF-RT IDN0000147383
P9405NMRShiftDB structure ID20191230
P2840NSC number5039
P2840NSC number757407
P10283OpenAlex IDC2779765676
P3636PDB ligand ID37T
P638PDB structure ID2EFJ
P11199Probes And Drugs IDPD001655
P8349Proleksis enciklopedija ID48577
P662PubChem CID5429
P3417Quora topic IDTheobromine
P1579Reaxys registry number16464
P3345RxNorm CUI10437
P4964SPLASHsplash10-014i-9100000000-3802e577174b5a4acced
P4964SPLASHsplash10-014i-9200000000-3e4c74d70eb361d592a2
P4964SPLASHsplash10-014i-9300000000-0d20b5fe9b93b113a29e
P4964SPLASHsplash10-014i-9400000000-a49998b45e391aeaede5
P4964SPLASHsplash10-014i-9400000000-c06ac99fd6e0c84d9653
P4964SPLASHsplash10-014i-9400000000-cacbf8fb2e4ee31e9feb
P4964SPLASHsplash10-014l-9000000000-55968ca3e94ce5a05cfe
P4964SPLASHsplash10-01b9-8900000000-d9e4a4411ab0ed3620a0
P4964SPLASHsplash10-01p9-0900000000-9b6882138a54379ed1f8
P4964SPLASHsplash10-01qi-0900000000-d58a783853c528b7d126
P4964SPLASHsplash10-02a9-2900000400-2ae0058f4f5f9fc23c01
P4964SPLASHsplash10-0910-5900000000-b590772083f824ea0fc6
P4964SPLASHsplash10-001i-0900000000-0900aca8d3306e912102
P4964SPLASHsplash10-001i-0900000000-79f9d425a871d43d6a4d
P4964SPLASHsplash10-001i-0900000000-8d639c53ad9b2b8f508e
P4964SPLASHsplash10-001i-0900000000-8f310d11959342061567
P4964SPLASHsplash10-001i-0900000000-9969958696e82ec648a8
P4964SPLASHsplash10-001i-0900000000-af8aad4b9053c561c822
P4964SPLASHsplash10-001i-0900000000-b1202b5f491f2aaaf542
P4964SPLASHsplash10-001i-0900000000-d4b30d6dd0d56e74cc6d
P4964SPLASHsplash10-001i-1900000000-599d34de0bc963388dc0
P4964SPLASHsplash10-001i-1900000000-7a6ca221466a7b3d83d5
P4964SPLASHsplash10-001i-2900000000-8a0fd0cd87c35684d19f
P4964SPLASHsplash10-001i-9700000000-770b2dc556ada7d97cae
P4964SPLASHsplash10-001r-0900000000-27e078352713f4a80d64
P4964SPLASHsplash10-004j-7900000000-54365e34320abc3c8f2e
P4964SPLASHsplash10-0079-7980000000-efb14ee11aad17b6b4d2
P4964SPLASHsplash10-014i-9000000000-b8b687b3b9ae3c76bc63
P5082Store medisinske leksikon IDteobromin
P2877SureChEMBL ID3184
P3365Treccani IDteobromina
P8121UM-BBD compound IDc1095
P2892UMLS CUIC0039763
P11089UniChem compound ID596766
P652UNIIOBD445WZ5P
P12800Vikidia article IDfr:Théobromine
P679ZVG number491223

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