KNApSAcK Metabolite C00002292
Metabolite
KNApSAcK Entry
| id | C00002292 |
|---|---|
| Name | Hyoscine / Scopolamine / Scopine tropate / Scopine (-)-tropate |
| CAS RN | 51-34-3 |
| Standard InChI | InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11-,12-,13+,14?,15-,16?/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3 |
Cluster
| Phytochemical cluster | No. 1 |
|---|---|
| KCF-S cluster | No. 666 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | CHEMBL13030 CHEMBL253569 CHEMBL508322 CHEMBL569713 CHEMBL608810 CHEMBL1187846 CHEMBL1201069 CHEMBL1324521 CHEMBL1418417 CHEMBL1434831 CHEMBL1531863 CHEMBL1620047 CHEMBL1906925 |
KEGG
| By LinkDB | C01851 |
|---|
CTD
| By CAS RN | D012601 |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| asterids | 48 |
Family
| family name | count |
|---|---|
| Solanaceae | 48 |
List (48)
* NCBI
Human Protein / Gene in interaction
23 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P10635 | Cytochrome P450 2D6 | Cytochrome P450 2D6 | CHEMBL1324521 CHEMBL1418417 CHEMBL1434831 CHEMBL1531863 |
CHEMBL1741321
(4)
|
1 / 0 |
| O15245 | Solute carrier family 22 member 1 | Drug uniporter | CHEMBL1201069 |
CHEMBL993349
(1)
|
0 / 0 |
| P02545 | Prelamin-A/C | Unclassified protein | CHEMBL1531863 |
CHEMBL1614544
(1)
|
11 / 10 |
| P16473 | Thyrotropin receptor | Glycohormone receptor | CHEMBL1324521 CHEMBL1418417 |
CHEMBL1614281
(1)
CHEMBL1614361
(2)
|
3 / 2 |
| P08912 | Muscarinic acetylcholine receptor M5 | Acetylcholine receptor | CHEMBL1201069 |
CHEMBL748379
(1)
CHEMBL843757
(1)
CHEMBL2317404 (1) CHEMBL2317407 (1) |
0 / 0 |
| P02768 | Serum albumin | Secreted protein | CHEMBL1201069 |
CHEMBL702885
(1)
|
0 / 0 |
| P08183 | Multidrug resistance protein 1 | drug | CHEMBL1201069 |
CHEMBL2075633
(1)
CHEMBL2076203
(1)
|
1 / 0 |
| P11712 | Cytochrome P450 2C9 | Cytochrome P450 2C9 | CHEMBL1324521 CHEMBL1418417 CHEMBL1434831 CHEMBL1531863 |
CHEMBL1741325
(4)
|
0 / 1 |
| Q16665 | Hypoxia-inducible factor 1-alpha | Transcription Factor | CHEMBL1324521 |
CHEMBL1614456
(1)
CHEMBL1613803
(1)
|
0 / 0 |
| Q99720 | Sigma non-opioid intracellular receptor 1 | Membrane receptor | CHEMBL1201069 |
CHEMBL803926
(1)
|
1 / 0 |
| O94782 | Ubiquitin carboxyl-terminal hydrolase 1 | Enzyme | CHEMBL1434831 |
CHEMBL1794467
(1)
|
0 / 0 |
| P08172 | Muscarinic acetylcholine receptor M2 | Acetylcholine receptor | CHEMBL1201069 |
CHEMBL748379
(1)
CHEMBL843757
(1)
CHEMBL2320131 (1) |
2 / 0 |
| P11229 | Muscarinic acetylcholine receptor M1 | Acetylcholine receptor | CHEMBL1201069 |
CHEMBL748379
(1)
CHEMBL843757
(1)
CHEMBL2317405 (1) CHEMBL2317408 (1) |
0 / 0 |
| P20309 | Muscarinic acetylcholine receptor M3 | Acetylcholine receptor | CHEMBL1201069 |
CHEMBL748379
(1)
CHEMBL843757
(1)
CHEMBL2320130 (1) |
1 / 0 |
| P05177 | Cytochrome P450 1A2 | Cytochrome P450 1A2 | CHEMBL1324521 CHEMBL1418417 CHEMBL1434831 CHEMBL1531863 |
CHEMBL1741322
(4)
|
0 / 0 |
| P08173 | Muscarinic acetylcholine receptor M4 | Acetylcholine receptor | CHEMBL1201069 |
CHEMBL748379
(1)
CHEMBL843757
(1)
CHEMBL2320129 (1) |
0 / 0 |
| P19838 | Nuclear factor NF-kappa-B p105 subunit | Transcription Factor | CHEMBL1324521 |
CHEMBL1614274
(1)
CHEMBL1613823
(1)
|
0 / 0 |
| P33261 | Cytochrome P450 2C19 | Cytochrome P450 2C19 | CHEMBL1324521 CHEMBL1418417 CHEMBL1434831 CHEMBL1531863 |
CHEMBL1741323
(4)
|
1 / 1 |
| P08684 | Cytochrome P450 3A4 | Cytochrome P450 3A4 | CHEMBL1324521 CHEMBL1418417 CHEMBL1434831 CHEMBL1531863 |
CHEMBL1741324
(4)
|
0 / 1 |
| Q96KQ7 | Histone-lysine N-methyltransferase EHMT2 | Enzyme | CHEMBL608810 |
CHEMBL1738442
(1)
|
0 / 0 |
| Q9NY46 | Sodium channel protein type 3 subunit alpha | SCN alpha, NaV1.x | CHEMBL1201069 |
CHEMBL806153
(1)
CHEMBL806154
(1)
|
0 / 0 |
| Q99250 | Sodium channel protein type 2 subunit alpha | SCN alpha, NaV1.x | CHEMBL1201069 |
CHEMBL806153
(1)
CHEMBL806154
(1)
|
2 / 2 |
| P35498 | Sodium channel protein type 1 subunit alpha | SCN alpha, NaV1.x | CHEMBL1201069 |
CHEMBL806153
(1)
CHEMBL806154
(1)
|
3 / 2 |
CTD interaction (12)
| compound | gene | gene name | gene description | interaction | interaction type | form |
reference
pmid |
|---|---|---|---|---|---|---|---|
| D012601 | 43 |
ACHE
ACEE ARACHE N-ACHE YT |
acetylcholinesterase (EC:3.1.1.7) | kangshuai yizhi inhibits the reaction [Scopolamine Hydrobromide results in increased activity of ACHE protein] |
decreases reaction
/ increases activity |
protein |
20694781
|
| D012601 | 43 |
ACHE
ACEE ARACHE N-ACHE YT |
acetylcholinesterase (EC:3.1.1.7) | Scopolamine Hydrobromide results in increased activity of ACHE protein |
increases activity
|
protein |
20694781
|
| D012601 | 183 |
AGT
ANHU SERPINA8 |
angiotensinogen (serpin peptidase inhibitor, clade A, member 8) | [AGT protein modified form binds to and results in decreased activity of LNPEP protein] which results in decreased susceptibility to Scopolamine Hydrobromide |
affects binding
/ decreases activity / decreases response to substance |
protein |
11707427
|
| D012601 | 1103 |
CHAT
CHOACTASE CMS1A CMS1A2 |
choline O-acetyltransferase (EC:2.3.1.6) | kangshuai yizhi inhibits the reaction [Scopolamine Hydrobromide results in decreased activity of CHAT protein] |
decreases activity
/ decreases reaction |
protein |
20694781
|
| D012601 | 1103 |
CHAT
CHOACTASE CMS1A CMS1A2 |
choline O-acetyltransferase (EC:2.3.1.6) | Scopolamine Hydrobromide results in decreased activity of CHAT protein |
decreases activity
|
protein |
20694781
|
| D012601 | 1137 |
CHRNA4
BFNC EBN EBN1 NACHR NACHRA4 NACRA4 |
cholinergic receptor, nicotinic, alpha 4 (neuronal) | Scopolamine Hydrobromide binds to [CHRNA4 protein binds to CHRNB2 protein] |
affects binding
|
protein |
15733544
|
| D012601 | 1137 |
CHRNA4
BFNC EBN EBN1 NACHR NACHRA4 NACRA4 |
cholinergic receptor, nicotinic, alpha 4 (neuronal) | Scopolamine Hydrobromide promotes the reaction [Acetylcholine affects the activity of [CHRNA4 protein binds to CHRNB2 protein]] |
affects activity
/ affects binding / increases reaction |
protein |
15733544
|
| D012601 | 1141 |
CHRNB2
EFNL3 nAChRB2 |
cholinergic receptor, nicotinic, beta 2 (neuronal) | Scopolamine Hydrobromide binds to [CHRNA4 protein binds to CHRNB2 protein] |
affects binding
|
protein |
15733544
|
| D012601 | 1141 |
CHRNB2
EFNL3 nAChRB2 |
cholinergic receptor, nicotinic, beta 2 (neuronal) | Scopolamine Hydrobromide promotes the reaction [Acetylcholine affects the activity of [CHRNA4 protein binds to CHRNB2 protein]] |
affects activity
/ affects binding / increases reaction |
protein |
15733544
|
| D012601 | 2914 |
GRM4
GPRC1D MGLUR4 mGlu4 |
glutamate receptor, metabotropic 4 | Scopolamine Hydrobromide inhibits the reaction [[Carbachol results in increased activity of [GRM4 protein binds to KCNJ3 protein]] which results in increased import of Thallium] |
affects binding
/ decreases reaction / increases activity / increases import |
protein |
18171729
|
| D012601 | 3760 |
KCNJ3
GIRK1 KGA KIR3.1 |
potassium inwardly-rectifying channel, subfamily J, member 3 | Scopolamine Hydrobromide inhibits the reaction [[Carbachol results in increased activity of [GRM4 protein binds to KCNJ3 protein]] which results in increased import of Thallium] |
affects binding
/ decreases reaction / increases activity / increases import |
protein |
18171729
|
| D012601 | 4012 |
LNPEP
CAP IRAP P-LAP PLAP |
leucyl/cystinyl aminopeptidase (EC:3.4.11.3) | [AGT protein modified form binds to and results in decreased activity of LNPEP protein] which results in decreased susceptibility to Scopolamine Hydrobromide |
affects binding
/ decreases activity / decreases response to substance |
protein |
11707427
|
Related Disease
Diseases related to proteins in ChEMBL interactions
OMIM (26)
| OMIM | preferred title | UniProt |
|---|---|---|
| #100100 | Abdominal muscles, absence of, with urinary tract abnormality and cryptorchidism |
P20309
|
| #103780 | Alcohol dependence |
P08172
|
| #614373 | Amyotrophic lateral sclerosis 16, juvenile; als16 |
Q99720
|
| #115200 | Cardiomyopathy, dilated, 1a; cmd1a |
P02545
|
| #212112 | Cardiomyopathy, dilated, with hypergonadotropic hypogonadism |
P02545
|
| #605588 | Charcot-marie-tooth disease, axonal, type 2b1; cmt2b1 |
P02545
|
| #607208 | Dravet syndrome |
P35498
|
| #609535 | Drug metabolism, poor, cyp2c19-related |
P33261
|
| #608902 | Drug metabolism, poor, cyp2d6-related |
P10635
|
| #181350 | Emery-dreifuss muscular dystrophy 2, autosomal dominant; edmd2 |
P02545
|
| #613721 | Epileptic encephalopathy, early infantile, 11; eiee11 |
Q99250
|
| #604403 | Generalized epilepsy with febrile seizures plus, type 2; gefsp2 |
P35498
|
| #610140 | Heart-hand syndrome, slovenian type |
P02545
|
| #176670 | Hutchinson-gilford progeria syndrome; hgps |
P02545
|
| #603373 | Hyperthyroidism, familial gestational |
P16473
|
| #609152 | Hyperthyroidism, nonautoimmune |
P16473
|
| #275200 | Hypothyroidism, congenital, nongoitrous, 1; chng1 |
P16473
|
| #612244 | Inflammatory bowel disease 13; ibd13 |
P08183
|
| #151660 | Lipodystrophy, familial partial, type 2; fpld2 |
P02545
|
| #608516 | Major depressive disorder; mdd |
P08172
|
| #248370 | Mandibuloacral dysplasia with type a lipodystrophy; mada |
P02545
|
| #609634 | Migraine, familial hemiplegic, 3; fhm3 |
P35498
|
| #613205 | Muscular dystrophy, congenital, lmna-related |
P02545
|
| #159001 | Muscular dystrophy, limb-girdle, type 1b; lgmd1b |
P02545
|
| #275210 | Restrictive dermopathy, lethal |
P02545
|
| #607745 | Seizures, benign familial infantile, 3; bfis3 |
Q99250
|
KEGG DISEASE (19)
| KEGG | disease name | UniProt |
|---|---|---|
| H00264 | Charcot-Marie-Tooth disease (CMT) |
P02545
(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)
|
| H01205 | Coumarin resistance |
P11712
(related)
|
| H00250 | Congenital nongoitrous hypothyroidism (CHNG) |
P16473
(related)
|
| H01269 | Congenital hyperthyroidism |
P16473
(related)
|
| H01171 | Poor drug metabolism (PM) |
P33261
(related)
|
| H00775 | Familial or sporadic hemiplegic migraine |
P35498
(related)
|
| H00783 | Febrile seizures |
P35498
(related)
|
| H00606 | Early infantile epileptic encephalopathy |
Q99250
(related)
|
| H00806 | Benign familial neonatal and infantile epilepsies |
Q99250
(related)
|