KNApSAcK Metabolite C00039930
Metabolite
KNApSAcK Entry
| id | C00039930 |
|---|---|
| Name | Paraxanthine |
| CAS RN | 611-59-6 |
| Standard InChI | InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13) |
| Standard InChI (Main Layer) | InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13) |
Cluster
| Phytochemical cluster | No. 12 |
|---|---|
| KCF-S cluster | No. 2266 |
Link
ChEMBL
| By standard InChI | CHEMBL1158 |
|---|---|
| By standard InChI Main Layer | CHEMBL1158 |
KEGG
| By LinkDB | C13747 |
|---|
CTD
| By CAS RN | C021183 |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| rosids | 4 |
Family
| family name | count |
|---|---|
| Rutaceae | 3 |
| Sapindaceae | 1 |
List (4)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Citrus limon | 2708 | Rutaceae | rosids | Viridiplantae |
| Citrus maxima | 37334 | Rutaceae | rosids | Viridiplantae |
| Citrus paradisi | 37656 | Rutaceae | rosids | Viridiplantae |
| Paullinia trifoliata | 290983 | Sapindaceae | rosids | Viridiplantae |
Human Protein / Gene in interaction
15 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P10635 | Cytochrome P450 2D6 | Cytochrome P450 2D6 | CHEMBL1158 |
CHEMBL1741321
(1)
|
1 / 0 |
| P49798 | Regulator of G-protein signaling 4 | Unclassified protein | CHEMBL1158 |
CHEMBL1794499
(1)
|
2 / 0 |
| P02545 | Prelamin-A/C | Unclassified protein | CHEMBL1158 |
CHEMBL1614544
(1)
|
11 / 10 |
| P16473 | Thyrotropin receptor | Glycohormone receptor | CHEMBL1158 |
CHEMBL1614281
(1)
CHEMBL1614361
(1)
|
3 / 2 |
| P11712 | Cytochrome P450 2C9 | Cytochrome P450 2C9 | CHEMBL1158 |
CHEMBL1741325
(1)
|
0 / 1 |
| P54132 | Bloom syndrome protein | Enzyme | CHEMBL1158 |
CHEMBL1614522
(1)
CHEMBL1614067
(1)
|
1 / 2 |
| P00352 | Retinal dehydrogenase 1 | Enzyme | CHEMBL1158 |
CHEMBL1614458
(1)
|
0 / 0 |
| P83916 | Chromobox protein homolog 1 | Unclassified protein | CHEMBL1158 |
CHEMBL1794401
(1)
|
0 / 0 |
| P05177 | Cytochrome P450 1A2 | Cytochrome P450 1A2 | CHEMBL1158 |
CHEMBL1741322
(1)
|
0 / 0 |
| Q01453 | Peripheral myelin protein 22 | Unclassified protein | CHEMBL1158 |
CHEMBL1614171
(1)
|
5 / 2 |
| P33261 | Cytochrome P450 2C19 | Cytochrome P450 2C19 | CHEMBL1158 |
CHEMBL1741323
(1)
|
1 / 1 |
| P08684 | Cytochrome P450 3A4 | Cytochrome P450 3A4 | CHEMBL1158 |
CHEMBL1614108
(1)
CHEMBL1613886
(1)
CHEMBL1741324 (1) |
0 / 1 |
| P27695 | DNA-(apurinic or apyrimidinic site) lyase | Enzyme | CHEMBL1158 |
CHEMBL1614211
(1)
|
0 / 0 |
| P10636 | Microtubule-associated protein tau | Unclassified protein | CHEMBL1158 |
CHEMBL1614250
(1)
|
4 / 3 |
| Q96KQ7 | Histone-lysine N-methyltransferase EHMT2 | Enzyme | CHEMBL1158 |
CHEMBL1738442
(1)
|
0 / 0 |
CTD interaction (17)
| compound | gene | gene name | gene description | interaction | interaction type | form |
reference
pmid |
|---|---|---|---|---|---|---|---|
| C021183 | 136 |
ADORA2B
ADORA2 |
adenosine A2b receptor | ADORA2B mutant form inhibits the reaction [1,7-dimethylxanthine results in decreased expression of and results in decreased activity of HSD11B2 protein] |
decreases activity
/ decreases expression / decreases reaction |
mutant form |
22701600
|
| C021183 | 136 |
ADORA2B
ADORA2 |
adenosine A2b receptor | ADORA2B mutant form inhibits the reaction [1,7-dimethylxanthine results in decreased expression of HSD11B2 mRNA] |
decreases expression
/ decreases reaction |
mutant form |
22701600
|
| C021183 | 1544 |
CYP1A2
CP12 P3-450 P450(PA) |
cytochrome P450, family 1, subfamily A, polypeptide 2 (EC:1.14.14.1) | CYP1A2 protein affects the metabolism of 1,7-dimethylxanthine |
affects metabolic processing
|
protein |
1302044
|
| C021183 | 1544 |
CYP1A2
CP12 P3-450 P450(PA) |
cytochrome P450, family 1, subfamily A, polypeptide 2 (EC:1.14.14.1) | CYP1A2 protein results in increased chemical synthesis of 1,7-dimethylxanthine |
increases chemical synthesis
|
protein |
1302044
|
| C021183 | 1544 |
CYP1A2
CP12 P3-450 P450(PA) |
cytochrome P450, family 1, subfamily A, polypeptide 2 (EC:1.14.14.1) | CYP1A2 protein results in increased hydroxylation of 1,7-dimethylxanthine |
increases hydroxylation
|
protein |
15980104
|
| C021183 | 1548 |
CYP2A6
CPA6 CYP2A CYP2A3 CYPIIA6 P450C2A P450PB |
cytochrome P450, family 2, subfamily A, polypeptide 6 (EC:1.14.14.1) | CYP2A6 protein affects the metabolism of and results in increased activity of 1,7-dimethylxanthine |
affects metabolic processing
/ increases activity |
protein |
12505289
|
| C021183 | 1548 |
CYP2A6
CPA6 CYP2A CYP2A3 CYPIIA6 P450C2A P450PB |
cytochrome P450, family 2, subfamily A, polypeptide 6 (EC:1.14.14.1) | CYP2A6 protein polymorphism results in increased hydroxylation of 1,7-dimethylxanthine |
increases hydroxylation
|
protein |
15980104
|
| C021183 | 1548 |
CYP2A6
CPA6 CYP2A CYP2A3 CYPIIA6 P450C2A P450PB |
cytochrome P450, family 2, subfamily A, polypeptide 6 (EC:1.14.14.1) | CYP2A6 protein results in increased hydroxylation of 1,7-dimethylxanthine |
increases hydroxylation
|
protein |
15980104
|
| C021183 | 1548 |
CYP2A6
CPA6 CYP2A CYP2A3 CYPIIA6 P450C2A P450PB |
cytochrome P450, family 2, subfamily A, polypeptide 6 (EC:1.14.14.1) | CYP2A6 protein results in increased metabolism of 1,7-dimethylxanthine |
increases metabolic processing
|
protein |
17916905
|
| C021183 | 3291 |
HSD11B2
AME AME1 HSD11K HSD2 SDR9C3 |
hydroxysteroid (11-beta) dehydrogenase 2 (EC:1.1.1.146) | 1,7-dimethylxanthine results in decreased expression of and results in decreased activity of HSD11B2 protein |
decreases activity
/ decreases expression |
protein |
22701600
|
| C021183 | 3291 |
HSD11B2
AME AME1 HSD11K HSD2 SDR9C3 |
hydroxysteroid (11-beta) dehydrogenase 2 (EC:1.1.1.146) | 1,7-dimethylxanthine results in decreased expression of HSD11B2 mRNA |
decreases expression
|
mRNA |
22701600
|
| C021183 | 3291 |
HSD11B2
AME AME1 HSD11K HSD2 SDR9C3 |
hydroxysteroid (11-beta) dehydrogenase 2 (EC:1.1.1.146) | ADORA2B mutant form inhibits the reaction [1,7-dimethylxanthine results in decreased expression of and results in decreased activity of HSD11B2 protein] |
decreases activity
/ decreases expression / decreases reaction |
protein |
22701600
|
| C021183 | 3291 |
HSD11B2
AME AME1 HSD11K HSD2 SDR9C3 |
hydroxysteroid (11-beta) dehydrogenase 2 (EC:1.1.1.146) | ADORA2B mutant form inhibits the reaction [1,7-dimethylxanthine results in decreased expression of HSD11B2 mRNA] |
decreases expression
/ decreases reaction |
mRNA |
22701600
|
| C021183 | 3291 |
HSD11B2
AME AME1 HSD11K HSD2 SDR9C3 |
hydroxysteroid (11-beta) dehydrogenase 2 (EC:1.1.1.146) | Colforsin inhibits the reaction [1,7-dimethylxanthine results in decreased expression of and results in decreased activity of HSD11B2 protein] |
decreases activity
/ decreases expression / decreases reaction |
protein |
22701600
|
| C021183 | 3291 |
HSD11B2
AME AME1 HSD11K HSD2 SDR9C3 |
hydroxysteroid (11-beta) dehydrogenase 2 (EC:1.1.1.146) | Colforsin inhibits the reaction [1,7-dimethylxanthine results in decreased expression of HSD11B2 mRNA] |
decreases expression
/ decreases reaction |
mRNA |
22701600
|
| C021183 | 3569 |
IL6
BSF2 HGF HSF IFNB2 IL-6 |
interleukin 6 (interferon, beta 2) | 1,7-dimethylxanthine inhibits the reaction [lipopolysaccharide, E coli O55-B5 results in increased expression of IL6 protein] |
decreases reaction
/ increases expression |
protein |
19962977
|
| C021183 | 7124 |
TNF
DIF TNF-alpha TNFA TNFSF2 |
tumor necrosis factor | 1,7-dimethylxanthine inhibits the reaction [lipopolysaccharide, E coli O55-B5 results in increased expression of TNF protein] |
decreases reaction
/ increases expression |
protein |
19962977
|
Related Disease
Diseases related to proteins in ChEMBL interactions
OMIM (28)
| OMIM | preferred title | UniProt |
|---|---|---|
| #210900 | Bloom syndrome; blm |
P54132
|
| #115200 | Cardiomyopathy, dilated, 1a; cmd1a |
P02545
|
| #212112 | Cardiomyopathy, dilated, with hypergonadotropic hypogonadism |
P02545
|
| #118300 | Charcot-marie-tooth disease and deafness |
Q01453
|
| #605588 | Charcot-marie-tooth disease, axonal, type 2b1; cmt2b1 |
P02545
|
| #118220 | Charcot-marie-tooth disease, demyelinating, type 1a; cmt1a |
Q01453
|
| #609535 | Drug metabolism, poor, cyp2c19-related |
P33261
|
| #608902 | Drug metabolism, poor, cyp2d6-related |
P10635
|
| #181350 | Emery-dreifuss muscular dystrophy 2, autosomal dominant; edmd2 |
P02545
|
| #600274 | Frontotemporal dementia; ftd |
P10636
|
| #139393 | Guillain-barre syndrome, familial; gbs |
Q01453
|
| #610140 | Heart-hand syndrome, slovenian type |
P02545
|
| #176670 | Hutchinson-gilford progeria syndrome; hgps |
P02545
|
| #603373 | Hyperthyroidism, familial gestational |
P16473
|
| #609152 | Hyperthyroidism, nonautoimmune |
P16473
|
| #145900 | Hypertrophic neuropathy of dejerine-sottas |
Q01453
|
| #275200 | Hypothyroidism, congenital, nongoitrous, 1; chng1 |
P16473
|
| #151660 | Lipodystrophy, familial partial, type 2; fpld2 |
P02545
|
| #248370 | Mandibuloacral dysplasia with type a lipodystrophy; mada |
P02545
|
| #613205 | Muscular dystrophy, congenital, lmna-related |
P02545
|
| #159001 | Muscular dystrophy, limb-girdle, type 1b; lgmd1b |
P02545
|
| #162500 | Neuropathy, hereditary, with liability to pressure palsies; hnpp |
Q01453
|
| #260540 | Parkinson-dementia syndrome |
P10636
|
| #172700 | Pick disease of brain |
P10636
|
| #275210 | Restrictive dermopathy, lethal |
P02545
|
| #604906 | Schizophrenia 9; sczd9 |
P49798
|
| #181500 | Schizophrenia; sczd |
P49798
|
| #601104 | Supranuclear palsy, progressive, 1; psnp1 |
P10636
|
KEGG DISEASE (21)
| KEGG | disease name | UniProt |
|---|---|---|
| H00264 | Charcot-Marie-Tooth disease (CMT) |
P02545
(related)
Q01453 (related) |
| H00294 | Dilated cardiomyopathy (DCM) |
P02545
(related)
|
| H00420 | Familial partial lipodystrophy (FPL) |
P02545
(related)
|
| H00563 | Emery-Dreifuss muscular dystrophy |
P02545
(related)
|
| H00590 | Congenital muscular dystrophies (CMD/MDC) |
P02545
(related)
|
| H00593 | Limb-girdle muscular dystrophy (LGMD) |
P02545
(related)
|
| H00601 | Hutchinson-Gilford progeria syndrome |
P02545
(related)
|
| H00663 | Restrictive dermopathy |
P02545
(related)
|
| H00665 | Mandibuloacral dysplasia |
P02545
(related)
|
| H01216 | Left ventricular noncompaction (LVNC) |
P02545
(related)
|
| H00036 | Osteosarcoma |
P08684
(marker)
|
| H00058 | Amyotrophic lateral sclerosis (ALS) |
P10636
(related)
|
| H00077 | Progressive supranuclear palsy (PSP) |
P10636
(related)
|
| H00078 | Frontotemporal lobar degeneration (FTLD) |
P10636
(related)
|
| H01205 | Coumarin resistance |
P11712
(related)
|
| H00250 | Congenital nongoitrous hypothyroidism (CHNG) |
P16473
(related)
|
| H01269 | Congenital hyperthyroidism |
P16473
(related)
|
| H01171 | Poor drug metabolism (PM) |
P33261
(related)
|
| H00094 | DNA repair defects |
P54132
(related)
|
| H00296 | Defects in RecQ helicases |
P54132
(related)
|
| H01296 | Hereditary neuropathy with liability to pressure palsies (HNPP) |
Q01453
(related)
|
Diseases related to CTD interactions
4 disease from interactions of metabolites
| MeSH disease | OMIM | compound | disease name | evidence type |
reference
pmid |
|---|---|---|---|---|---|
| D005317 | C021183 | Fetal Growth Retardation |
marker/mechanism
|
22701600
|
|
| D007249 | C021183 | Inflammation |
therapeutic
|
19962977
|
|
| D055370 | C021183 | Lung Injury |
therapeutic
|
19962977
|
|
| D029424 | C021183 | Pulmonary Disease, Chronic Obstructive |
therapeutic
|
19962977
|