茶碱
type: Item
instance of: type of chemical entity
Commons category: Theophylline
BNCF Thesaurus ID: 3551
Freebase ID: /m/0gzk2
GND ID: 4059781-7
CAS Registry Number: 58-55-9
chemical formula: C₇H₈N₄O₂
PubChem CID: 2153
InChI: InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
InChIKey: ZFXYFBGIUFBOJW-UHFFFAOYSA-N
ChEBI ID: 28177
ChEMBL ID: CHEMBL190
DrugBank ID: DB00277
ChemSpider ID: 2068
ATC code: R03DA04
KEGG ID: C07130
has part(s): nitrogen
has part(s): oxygen
has part(s): carbon
Guide to Pharmacology Ligand ID: 413
MeSH descriptor ID: D013806
ZVG number: 31810
medical condition treated: acute bronchitis
medical condition treated: asthma
medical condition treated: pulmonary emphysema
canonical SMILES: CN1C2=C(C(=O)N(C1=O)C)NC=N2
ECHA Substance Infocard ID: 100.000.350
EC number: 200-385-7
Reaxys registry number: 13463
KNApSAcK ID: C00001510
UNII: 0I55128JYK
PDB structure ID: 3ROX
PDB structure ID: 4EOH
PDB structure ID: 1EHT
PDB structure ID: 2A3A
PDB structure ID: 1O15
mass: 180.065
UMLS CUI: C0304441
RxNorm CUI: 91178
NDF-RT ID: N0000146469
DSSTox substance ID: DTXSID5021336
pregnancy category: Australian pregnancy category A
pregnancy category: US pregnancy category C
melting point: 268
PDB ligand ID: TEP
Encyclopædia Britannica Online ID: science/theophylline
Elhuyar ZTH ID: 031074
subclass of: methylxanthine
subject has role: phosphodiesterase inhibitor
subject has role: vasodilator agent
subject has role: bronchodilator
subject has role: purinergic P1 receptor antagonists
MCN code: 2939.59.10
Römpp online ID: RD-20-01178
Gmelin number: 51226
Treccani ID: teofillina
part of: ambuphylline
different from: etofylline
different from: Austyn
Human Metabolome Database ID: HMDB0001889
physically interacts with: Adenosine A1 receptor
physically interacts with: Adenosine A2a receptor
physically interacts with: Adenosine A2b receptor
physically interacts with: Adenosine A3 receptor
MassBank accession ID: SM815601
MassBank accession ID: SM815654
MassBank accession ID: MSBNK-Athens_Univ-AU111403
MassBank accession ID: MSBNK-Eawag-EQ363201
MassBank accession ID: MSBNK-Eawag-EQ363202
MassBank accession ID: MSBNK-Eawag-EQ363203
MassBank accession ID: MSBNK-Eawag-EQ363204

茶碱 (MassBank accession ID)
MassBank accession ID: MSBNK-Eawag-EQ363205

茶碱 (MassBank accession ID)
MassBank accession ID: MSBNK-Eawag-EQ363206

茶碱 (MassBank accession ID)
MassBank accession ID: MSBNK-Eawag-EQ363207

茶碱 (MassBank accession ID)
MassBank accession ID: MSBNK-Eawag-EQ363208

茶碱 (MassBank accession ID)
MassBank accession ID: MSBNK-Eawag-EQ363209

茶碱 (MassBank accession ID)
MassBank accession ID: MSBNK-Eawag-EQ363251

茶碱 (MassBank accession ID)
MassBank accession ID: MSBNK-Eawag-EQ363252

茶碱 (MassBank accession ID)
MassBank accession ID: MSBNK-Eawag-EQ363253

茶碱 (MassBank accession ID)
MassBank accession ID: MSBNK-Eawag-EQ363254

茶碱 (MassBank accession ID)
MassBank accession ID: MSBNK-Eawag-EQ363255

茶碱 (MassBank accession ID)
MassBank accession ID: MSBNK-Eawag-EQ363256

茶碱 (MassBank accession ID)
MassBank accession ID: MSBNK-Eawag-EQ363257

茶碱 (MassBank accession ID)
MassBank accession ID: MSBNK-Eawag-EQ363258

茶碱 (MassBank accession ID)
MassBank accession ID: MSBNK-Eawag-EQ363259

茶碱 (MassBank accession ID)
MassBank accession ID: MSBNK-Fac_Eng_Univ_Tokyo-JP002818

茶碱 (MassBank accession ID)
MassBank accession ID: MSBNK-Fac_Eng_Univ_Tokyo-JP003188

茶碱 (MassBank accession ID)
MassBank accession ID: MSBNK-Fac_Eng_Univ_Tokyo-JP011292

茶碱 (MassBank accession ID)
MassBank accession ID: MSBNK-Keio_Univ-KO004132

茶碱 (MassBank accession ID)
MassBank accession ID: MSBNK-Keio_Univ-KO004133

茶碱 (MassBank accession ID)
MassBank accession ID: MSBNK-Keio_Univ-KO004134

茶碱 (MassBank accession ID)
MassBank accession ID: MSBNK-Keio_Univ-KO004135

茶碱 (MassBank accession ID)
MassBank accession ID: MSBNK-Keio_Univ-KO004136

茶碱 (MassBank accession ID)
MassBank accession ID: MSBNK-Metabolon-MT000080

茶碱 (MassBank accession ID)
MassBank accession ID: MSBNK-Univ_Connecticut-CO000046

茶碱 (MassBank accession ID)
MassBank accession ID: MSBNK-Univ_Connecticut-CO000047

茶碱 (MassBank accession ID)
MassBank accession ID: MSBNK-Univ_Connecticut-CO000048

茶碱 (MassBank accession ID)
MassBank accession ID: MSBNK-Univ_Connecticut-CO000049

茶碱 (MassBank accession ID)
MassBank accession ID: MSBNK-Univ_Connecticut-CO000050

茶碱 (MassBank accession ID)
MassBank accession ID: MSBNK-Keio_Univ-KO000310

茶碱 (MassBank accession ID)
MassBank accession ID: MSBNK-Keio_Univ-KO000311

茶碱 (MassBank accession ID)
MassBank accession ID: MSBNK-Keio_Univ-KO000312

茶碱 (MassBank accession ID)
MassBank accession ID: MSBNK-Keio_Univ-KO000313

茶碱 (MassBank accession ID)
MassBank accession ID: MSBNK-Keio_Univ-KO000314

茶碱 (MassBank accession ID)
MassBank accession ID: MSBNK-Keio_Univ-KO001904

茶碱 (MassBank accession ID)
MassBank accession ID: MSBNK-Keio_Univ-KO001905

茶碱 (MassBank accession ID)
MassBank accession ID: MSBNK-Keio_Univ-KO001906

茶碱 (MassBank accession ID)
MassBank accession ID: MSBNK-Keio_Univ-KO001907

茶碱 (MassBank accession ID)
MassBank accession ID: MSBNK-Keio_Univ-KO001908

茶碱 (MassBank accession ID)
MassBank accession ID: MSBNK-Waters-WA000305

茶碱 (MassBank accession ID)
MassBank accession ID: MSBNK-Waters-WA000306

茶碱 (MassBank accession ID)
MassBank accession ID: MSBNK-Waters-WA000307

茶碱 (MassBank accession ID)
MassBank accession ID: MSBNK-Waters-WA000308

茶碱 (MassBank accession ID)
MassBank accession ID: MSBNK-Waters-WA000309

茶碱 (MassBank accession ID)
MassBank accession ID: MSBNK-Waters-WA000310

茶碱 (MassBank accession ID)
MassBank accession ID: MSBNK-Keio_Univ-KO002408

茶碱 (MassBank accession ID)
MassBank accession ID: MSBNK-Keio_Univ-KO002409

茶碱 (MassBank accession ID)
MassBank accession ID: MSBNK-Keio_Univ-KO002410

茶碱 (MassBank accession ID)
MassBank accession ID: MSBNK-Keio_Univ-KO002411

茶碱 (MassBank accession ID)
MassBank accession ID: MSBNK-Keio_Univ-KO002412

茶碱 (MassBank accession ID)
MassBank accession ID: MSBNK-Waters-WA001340

茶碱 (MassBank accession ID)
MassBank accession ID: MSBNK-Waters-WA001341

茶碱 (MassBank accession ID)
MassBank accession ID: MSBNK-Waters-WA001342

茶碱 (MassBank accession ID)
MassBank accession ID: MSBNK-Waters-WA001343

茶碱 (MassBank accession ID)
MassBank accession ID: MSBNK-Waters-WA001344

茶碱 (MassBank accession ID)
MassBank accession ID: MSBNK-Waters-WA001345

茶碱 (MeSH concept ID)
MeSH concept ID: M0587176

茶碱 (MeSH tree code)
MeSH tree code: D03.132.960.751
broader concept: xanthines

茶碱 (MeSH tree code)
MeSH tree code: D03.633.100.759.758.824.751
broader concept: xanthines

茶碱 (CosIng number)
CosIng number: 38578

茶碱 (NSC number)
NSC number: 2066

茶碱 (Microsoft Academic ID (discontinued))
Microsoft Academic ID (discontinued): 2778095195
Microsoft Academic ID (discontinued): https://makg.org/entity/2778095195

茶碱 (UM-BBD compound ID)
UM-BBD compound ID: c1152

茶碱 (Store medisinske leksikon ID)
Store medisinske leksikon ID: teofyllin
mapping relation type: exact match
subject named as: teofyllin

茶碱 (DSSTOX compound identifier)
DSSTOX compound identifier: DTXCID001336

茶碱 (ICSC ID)
ICSC ID: 0678

茶碱 (found in taxon)
found in taxon: Festuca pratensis

茶碱 (found in taxon)
found in taxon: yerba mate

茶碱 (found in taxon)
found in taxon: Ilex argentina

茶碱 (found in taxon)
found in taxon: Ilex brevicuspis

茶碱 (found in taxon)
found in taxon: Ilex theezans

茶碱 (found in taxon)
found in taxon: Ilex dumosa

茶碱 (found in taxon)
found in taxon: Ilex microdonta

茶碱 (found in taxon)
found in taxon: Ilex pseudobuxus

茶碱 (found in taxon)
found in taxon: guarana plant

茶碱 (found in taxon)
found in taxon: Camellia sinensis

茶碱 (found in taxon)
found in taxon: cacao

茶碱 (found in taxon)
found in taxon: Citrus grandis

茶碱 (found in taxon)
found in taxon: pomelo

茶碱 (found in taxon)
found in taxon: Amphimedon viridis

茶碱 (found in taxon)
found in taxon: Camellia irrawadiensis

茶碱 (found in taxon)
found in taxon: Camellia taliensis

茶碱 (found in taxon)
found in taxon: Camellia ptilophylla

茶碱 (found in taxon)
found in taxon: Coffea arabica

茶碱 (found in taxon)
found in taxon: Theobroma grandiflorum

茶碱 (found in taxon)
found in taxon: Citrus × paradisi

茶碱 (found in taxon)
found in taxon: Catharanthus roseus

茶碱 (found in taxon)
found in taxon: Festuca ovina

茶碱 (Gran Enciclopèdia Catalana ID (former scheme))
Gran Enciclopèdia Catalana ID (former scheme): 0145641

茶碱 (Library of Congress authority ID)
Library of Congress authority ID: sh85134710
subject named as: Theophylline

茶碱 (HSDB ID)
HSDB ID: 3399

茶碱 (NALT ID)
NALT ID: 65717
NALT ID: https://lod.nal.usda.gov/nalt/65717

茶碱 (DeCS ID)
DeCS ID: 14184

茶碱 (AGROVOC ID)
AGROVOC ID: c_16089

茶碱 (Quora topic ID)
Quora topic ID: Theophylline

茶碱 (UNSPSC code)
UNSPSC code: 51161505

茶碱 (OpenAlex ID)
OpenAlex ID: C2778095195

茶碱 (MedlinePlus drug identifier)
MedlinePlus drug identifier: a681006

茶碱 (WordNet 3.1 Synset ID)
WordNet 3.1 Synset ID: 04426450-n

茶碱 (has characteristic)
has characteristic: bitterness

茶碱 (J9U entity ID)
J9U entity ID: 987007534160605171

茶碱 (Probes And Drugs ID)
Probes And Drugs ID: PD001734

茶碱 (WikiProjectMed ID)
WikiProjectMed ID: Theophylline

茶碱 (CSD Refcode)
CSD Refcode: BAPLOT01

茶碱 (CCDC Number)
CCDC Number: 128707

茶碱 (has use)
has use: medication

茶碱 (CAMEO Chemicals ID)
CAMEO Chemicals ID: 21099

茶碱 (DrugCentral ID)
DrugCentral ID: 2620

茶碱 (UniChem compound ID)
UniChem compound ID: 116390

茶碱 (Gran Enciclopèdia Catalana ID)
Gran Enciclopèdia Catalana ID: teofillina

茶碱 (SureChEMBL ID)
SureChEMBL ID: 4915

茶碱 (NMRShiftDB structure ID)
NMRShiftDB structure ID: 30095493

茶碱 (Dewey Decimal Classification)
Dewey Decimal Classification: 615.7

茶碱 (Dewey Decimal Classification)
Dewey Decimal Classification: 615.72

茶碱 (Dewey Decimal Classification)
Dewey Decimal Classification: 616.200461