KNApSAcK Metabolite C00025552
Metabolite
KNApSAcK Entry
| id | C00025552 |
|---|---|
| Name | Benzoyltropine / O-Benzoyltropine / 3alpha-Benzoyloxytropane |
| CAS RN | 19145-60-9 |
| Standard InChI | InChI=1S/C15H19NO2/c1-16-12-7-8-13(16)10-14(9-12)18-15(17)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3/t12-,13+,14+ |
| Standard InChI (Main Layer) | InChI=1S/C15H19NO2/c1-16-12-7-8-13(16)10-14(9-12)18-15(17)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3 |
Cluster
| Phytochemical cluster | No. 1 |
|---|---|
| KCF-S cluster | No. 666 |
Link
ChEMBL
| By standard InChI | CHEMBL1947051 |
|---|---|
| By standard InChI Main Layer | CHEMBL419588 CHEMBL509945 CHEMBL1947051 CHEMBL1947052 CHEMBL2113329 |
KEGG
| By LinkDB | C11381 |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| rosids | 7 |
Family
| family name | count |
|---|---|
| Erythroxylaceae | 4 |
| Rhizophoraceae | 3 |
List (7)
* NCBI
Human Protein / Gene in interaction
5 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P17787 | Neuronal acetylcholine receptor subunit beta-2 | CHRN beta | CHEMBL1947051 CHEMBL1947052 |
CHEMBL1948416
(2)
|
1 / 1 |
| P43681 | Neuronal acetylcholine receptor subunit alpha-4 | CHRN alpha | CHEMBL1947051 CHEMBL1947052 |
CHEMBL1948416
(2)
|
1 / 1 |
| P36544 | Neuronal acetylcholine receptor subunit alpha-7 | CHRN alpha | CHEMBL1947051 CHEMBL1947052 |
CHEMBL1948415
(2)
|
0 / 0 |
| P46098 | 5-hydroxytryptamine receptor 3A | NS | CHEMBL419588 |
CHEMBL617970
(1)
|
0 / 0 |
| O95264 | 5-hydroxytryptamine receptor 3B | NS | CHEMBL419588 |
CHEMBL617970
(1)
|
0 / 0 |