KNApSAcK Metabolite C00025156
Metabolite
KNApSAcK Entry
| id | C00025156 |
|---|---|
| Name | Brucine N-oxide |
| CAS RN | 17301-81-4 |
| Standard InChI | InChI=1S/C23H26N2O5/c1-28-16-8-14-15(9-17(16)29-2)24-20(26)10-18-21-13-7-19-23(14,22(21)24)4-5-25(19,27)11-12(13)3-6-30-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3/t13-,18-,19-,21-,22-,23+,25?/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C23H26N2O5/c1-28-16-8-14-15(9-17(16)29-2)24-20(26)10-18-21-13-7-19-23(14,22(21)24)4-5-25(19,27)11-12(13)3-6-30-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3 |
Cluster
| Phytochemical cluster | No. 4 |
|---|---|
| KCF-S cluster | No. 672 |
Link
ChEMBL
| By standard InChI | CHEMBL343357 |
|---|---|
| By standard InChI Main Layer | CHEMBL343357 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN | C083067 |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| asterids | 4 |
Family
| family name | count |
|---|---|
| Loganiaceae | 4 |
List (4)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Strychnos atlantica | 1040860 | Loganiaceae | asterids | Viridiplantae |
| Strychnos lucida R.Br. | 403120 | Loganiaceae | asterids | Viridiplantae |
| Strychnos spinosa | 99302 | Loganiaceae | asterids | Viridiplantae |
| Strychnos wallichiana | 1040942 | Loganiaceae | asterids | Viridiplantae |
Human Protein / Gene in interaction
5 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P08912 | Muscarinic acetylcholine receptor M5 | Acetylcholine receptor | CHEMBL343357 |
CHEMBL747126
(1)
CHEMBL747127
(1)
CHEMBL747133 (1) CHEMBL747134 (1) |
0 / 0 |
| P08172 | Muscarinic acetylcholine receptor M2 | Acetylcholine receptor | CHEMBL343357 |
CHEMBL747609
(1)
CHEMBL747610
(1)
CHEMBL747612 (1) CHEMBL749034 (1) |
2 / 0 |
| P11229 | Muscarinic acetylcholine receptor M1 | Acetylcholine receptor | CHEMBL343357 |
CHEMBL750973
(1)
CHEMBL750974
(1)
CHEMBL752217 (1) CHEMBL752218 (1) |
0 / 0 |
| P20309 | Muscarinic acetylcholine receptor M3 | Acetylcholine receptor | CHEMBL343357 |
CHEMBL745523
(1)
CHEMBL745524
(1)
CHEMBL744392 (1) CHEMBL744393 (1) |
1 / 0 |
| P08173 | Muscarinic acetylcholine receptor M4 | Acetylcholine receptor | CHEMBL343357 |
CHEMBL744003
(1)
CHEMBL744004
(1)
CHEMBL744006 (1) CHEMBL744007 (1) |
0 / 0 |
CTD interaction (6)
| compound | gene | gene name | gene description | interaction | interaction type | form |
reference
pmid |
|---|---|---|---|---|---|---|---|
| C083067 | 1128 |
CHRM1
HM1 M1 M1R |
cholinergic receptor, muscarinic 1 | brucine N-oxide promotes the reaction [N-Methylscopolamine binds to CHRM1 protein] |
affects binding
/ increases reaction |
protein |
9495826
|
| C083067 | 1129 |
CHRM2
HM2 |
cholinergic receptor, muscarinic 2 | brucine N-oxide promotes the reaction [N-Methylscopolamine binds to CHRM2 protein] |
affects binding
/ increases reaction |
protein |
9495826
|
| C083067 | 1131 |
CHRM3
EGBRS HM3 |
cholinergic receptor, muscarinic 3 | brucine N-oxide promotes the reaction [Acetylcholine binds to CHRM3 protein] |
affects binding
/ increases reaction |
protein |
9495826
|
| C083067 | 1132 |
CHRM4
HM4 M4R |
cholinergic receptor, muscarinic 4 | brucine N-oxide promotes the reaction [Acetylcholine binds to CHRM4 protein] |
affects binding
/ increases reaction |
protein |
9495826
|
| C083067 | 1132 |
CHRM4
HM4 M4R |
cholinergic receptor, muscarinic 4 | brucine N-oxide promotes the reaction [Acetylcholine results in increased activity of CHRM4 protein] |
increases activity
/ increases reaction |
protein |
10101037
|
| C083067 | 1133 |
CHRM5
HM5 |
cholinergic receptor, muscarinic 5 | brucine N-oxide promotes the reaction [N-Methylscopolamine binds to CHRM5 protein] |
affects binding
/ increases reaction |
protein |
9495826
|