KNApSAcK Metabolite C00031097
Metabolite
KNApSAcK Entry
| id | C00031097 |
|---|---|
| Name | Pseudoephedrine / trans-Ephedrine / (+)-Pseudoephedrine |
| CAS RN | 90-82-4 |
| Standard InChI | InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3 |
Cluster
| Phytochemical cluster | No. 9 |
|---|---|
| KCF-S cluster | No. 2149 |
Link
ChEMBL
| By standard InChI | CHEMBL1590 |
|---|---|
| By standard InChI Main Layer | CHEMBL357080 CHEMBL211456 CHEMBL1590 CHEMBL1620154 CHEMBL2110656 CHEMBL2110905 |
KEGG
| By LinkDB | C02765 |
|---|
CTD
| By CAS RN | D054199 |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| Spermatophyta | 6 |
| eudicotyledons | 1 |
Family
| family name | count |
|---|---|
| Ephedraceae | 6 |
| Papaveraceae | 1 |
List (7)
* NCBI
Human Protein / Gene in interaction
13 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P10635 | Cytochrome P450 2D6 | Cytochrome P450 2D6 | CHEMBL1590 |
CHEMBL1614110
(1)
|
1 / 0 |
| P14618 | Pyruvate kinase PKM | Enzyme | CHEMBL1590 |
CHEMBL1614177
(1)
CHEMBL1614265
(1)
|
0 / 0 |
| P16473 | Thyrotropin receptor | Glycohormone receptor | CHEMBL1590 |
CHEMBL1614361
(1)
|
3 / 2 |
| P11712 | Cytochrome P450 2C9 | Cytochrome P450 2C9 | CHEMBL1590 |
CHEMBL1614027
(1)
|
0 / 1 |
| O15296 | Arachidonate 15-lipoxygenase B | Enzyme | CHEMBL1590 |
CHEMBL1613800
(1)
|
0 / 0 |
| P06280 | Alpha-galactosidase A | Enzyme | CHEMBL1590 |
CHEMBL1614130
(1)
CHEMBL1613841
(1)
|
1 / 1 |
| P18054 | Arachidonate 12-lipoxygenase, 12S-type | Enzyme | CHEMBL1590 |
CHEMBL1614252
(1)
|
2 / 0 |
| Q99714 | 3-hydroxyacyl-CoA dehydrogenase type-2 | Enzyme | CHEMBL1590 |
CHEMBL1613910
(1)
CHEMBL1614227
(1)
|
3 / 3 |
| P19838 | Nuclear factor NF-kappa-B p105 subunit | Transcription Factor | CHEMBL1590 |
CHEMBL1614274
(1)
CHEMBL1613823
(1)
|
0 / 0 |
| P16050 | Arachidonate 15-lipoxygenase | Enzyme | CHEMBL1590 |
CHEMBL1614240
(1)
|
0 / 0 |
| P33261 | Cytochrome P450 2C19 | Cytochrome P450 2C19 | CHEMBL1590 |
CHEMBL1613777
(1)
|
1 / 1 |
| P08684 | Cytochrome P450 3A4 | Cytochrome P450 3A4 | CHEMBL1590 |
CHEMBL1614108
(1)
CHEMBL1613886
(1)
|
0 / 1 |
| P40225 | Thrombopoietin | Unclassified protein | CHEMBL1590 |
CHEMBL1614086
(1)
CHEMBL1614034
(1)
|
1 / 1 |
Related Disease
Diseases related to proteins in ChEMBL interactions
OMIM (12)
| OMIM | preferred title | UniProt |
|---|---|---|
| #300438 | 17-beta-hydroxysteroid dehydrogenase x deficiency |
Q99714
|
| #114500 | Colorectal cancer; crc |
P18054
|
| #609535 | Drug metabolism, poor, cyp2c19-related |
P33261
|
| #608902 | Drug metabolism, poor, cyp2d6-related |
P10635
|
| #133239 | Esophageal cancer |
P18054
|
| #301500 | Fabry disease |
P06280
|
| #603373 | Hyperthyroidism, familial gestational |
P16473
|
| #609152 | Hyperthyroidism, nonautoimmune |
P16473
|
| #275200 | Hypothyroidism, congenital, nongoitrous, 1; chng1 |
P16473
|
| #300705 | Mental retardation, x-linked 17; mrx17 |
Q99714
|
| #300220 | Mental retardation, x-linked, syndromic 10; mrxs10 |
Q99714
|
| #187950 | Thrombocythemia 1; thcyt1 |
P40225
|
KEGG DISEASE (10)
| KEGG | disease name | UniProt |
|---|---|---|
| H00125 | Fabry disease |
P06280
(related)
|
| H00036 | Osteosarcoma |
P08684
(marker)
|
| H01205 | Coumarin resistance |
P11712
(related)
|
| H00250 | Congenital nongoitrous hypothyroidism (CHNG) |
P16473
(related)
|
| H01269 | Congenital hyperthyroidism |
P16473
(related)
|
| H01171 | Poor drug metabolism (PM) |
P33261
(related)
|
| H00227 | Congenital amegakaryocytic thrombocytopenia (CAMT) |
P40225
(marker)
|
| H00480 | Non-syndromic X-linked mental retardation |
Q99714
(related)
|
| H00658 | Syndromic X-linked mental retardation |
Q99714
(related)
|
| H00925 | 2-Methyl-3-hydroxybutyryl-CoA dehydrogenase (MHBD) deficiency |
Q99714
(related)
|
Diseases related to CTD interactions
50 disease from interactions of metabolites
| MeSH disease | OMIM | compound | disease name | evidence type |
reference
pmid |
|---|---|---|---|---|---|
| D054058 | D054199 | Acute Coronary Syndrome |
marker/mechanism
|
18987767
|
|
| D058186 | D054199 | Acute Kidney Injury |
marker/mechanism
|
14671078
|
|
| D000787 | D054199 | Angina Pectoris |
marker/mechanism
|
7224270
|
|
| D000799 | D054199 | Angioedema |
marker/mechanism
|
12637407
|
|
| D001146 | D054199 | Arrhythmia, Sinus |
marker/mechanism
|
7037866
|
|
| D001259 | D054199 | Ataxia |
marker/mechanism
|
10195488
|
|
| D001714 | D054199 | Bipolar Disorder |
marker/mechanism
|
3295932
17290343 |
|
| D001929 | D054199 | Brain Edema |
marker/mechanism
|
20398975
|
|
| D009202 | D054199 | Cardiomyopathies |
marker/mechanism
|
18238747
|
|
| D002543 | D054199 | Cerebral Hemorrhage |
marker/mechanism
|
4024187
12791938 16018164 |
|
| D017091 | D054199 | Colitis, Ischemic |
marker/mechanism
|
15522982
|
|
| D003139 | D054199 | Common Cold |
therapeutic
|
12421505
|
|
| D003329 | D054199 | Coronary Vasospasm |
marker/mechanism
|
11381283
18024065 |
|
| D003873 | D054199 | Dermatitis, Exfoliative |
marker/mechanism
|
12199969
|
|
| D006970 | D054199 | Disorders of Excessive Somnolence |
marker/mechanism
|
12421505
|
|
| D004244 | D054199 | Dizziness |
marker/mechanism
|
11361053
|
|
| D004342 | D054199 | Drug Hypersensitivity |
marker/mechanism
|
12199969
|
|
| D062787 | D054199 | Drug Overdose |
marker/mechanism
|
18365604
|
|
| D006261 | D054199 | Headache |
marker/mechanism
therapeutic |
7092186
11361053 14671078 14671681 |
|
| D006333 | D054199 | Heart Failure |
marker/mechanism
|
18238747
|
|
| D006967 | D054199 | Hypersensitivity |
marker/mechanism
|
9377115
|
|
| D006973 | D054199 | Hypertension |
marker/mechanism
|
3947442
7092186 |
|
| D020343 | D054199 | Hypertensive Encephalopathy |
marker/mechanism
|
20398975
|
|
| D007251 | D054199 | Influenza, Human |
therapeutic
|
11381283
12421505 |
|
| D053609 | D054199 | Lethargy |
marker/mechanism
|
1557278
|
|
| D009203 | D054199 | Myocardial Infarction |
marker/mechanism
|
9407485
11381283 18024065 |
|
| D009207 | D054199 | Myoclonus |
marker/mechanism
|
7110997
|
|
| D009668 | D054199 | Nose Diseases |
therapeutic
|
14671681
|
|
| D010554 | D054199 | Personality Disorders |
marker/mechanism
|
9377115
|
|
| D010612 | D054199 | Pharyngitis |
therapeutic
|
14671681
|
|
| D011605 | D054199 | Psychoses, Substance-Induced |
marker/mechanism
|
9267376
10195488 |
|
| D011644 | D054199 | Puerperal Disorders |
marker/mechanism
|
9267376
|
|
| D012220 | D054199 | Rhinitis |
therapeutic
|
1098524
|
|
| D012221 | D054199 | Rhinitis, Allergic, Perennial |
therapeutic
|
15119752
|
|
| D006255 | D054199 | Rhinitis, Allergic, Seasonal |
therapeutic
|
9491827
|
|
| D012640 | D054199 | Seizures |
marker/mechanism
|
7092186
|
|
| D012852 | D054199 | Sinusitis |
therapeutic
|
8607519
9407485 12637407 16018164 |
|
| D020521 | D054199 | Stroke |
marker/mechanism
|
12791938
|
|
| D013575 | D054199 | Syncope |
marker/mechanism
|
9853729
|
|
| D013614 | D054199 | Tachycardia, Paroxysmal |
marker/mechanism
|
18206336
|
|
| D013617 | D054199 | Tachycardia, Supraventricular |
marker/mechanism
|
18206336
|
|
| D017180 | D054199 | Tachycardia, Ventricular |
marker/mechanism
|
12637407
|
|
| D014202 | D054199 | Tremor |
marker/mechanism
|
1557278
|
|
| D014545 | D054199 | Urinary Calculi |
marker/mechanism
|
15759201
|
|
| D016055 | D054199 | Urinary Retention |
marker/mechanism
|
18365604
|
|
| D052878 | D054199 | Urolithiasis |
marker/mechanism
|
14671078
|
|
| D014581 | D054199 | Urticaria |
marker/mechanism
|
12637407
|
|
| D018879 | D054199 | Ventricular Premature Complexes |
marker/mechanism
|
9853729
|
|
| D014839 | D054199 | Vomiting |
marker/mechanism
|
1557278
|
|
| D014987 | D054199 | Xerostomia |
marker/mechanism
|
12421505
|