KNApSAcK Metabolite C00001734
Metabolite
KNApSAcK Entry
| id | C00001734 |
|---|---|
| Name | Gelsemine |
| CAS RN | 509-15-9 |
| Standard InChI | InChI=1S/C20H22N2O2/c1-3-19-10-22(2)16-11-9-24-15(8-13(11)19)20(17(16)19)12-6-4-5-7-14(12)21-18(20)23/h3-7,11,13,15-17H,1,8-10H2,2H3,(H,21,23)/t11-,13-,15+,16+,17-,19-,20-/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C20H22N2O2/c1-3-19-10-22(2)16-11-9-24-15(8-13(11)19)20(17(16)19)12-6-4-5-7-14(12)21-18(20)23/h3-7,11,13,15-17H,1,8-10H2,2H3,(H,21,23) |
Cluster
| Phytochemical cluster | No. 4 |
|---|---|
| KCF-S cluster | No. 2436 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | CHEMBL521561 CHEMBL1551699 CHEMBL1741899 CHEMBL1979576 |
KEGG
| By LinkDB | C09207 |
|---|
CTD
| By CAS RN | C063230 |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| asterids | 2 |
Family
| family name | count |
|---|---|
| Gelsemiaceae | 2 |
List (2)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Gelsemium elegans | 427660 | Gelsemiaceae | asterids | Viridiplantae |
| Gelsemium sempervirens | 28542 | Gelsemiaceae | asterids | Viridiplantae |
Human Protein / Gene in interaction
6 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P10635 | Cytochrome P450 2D6 | Cytochrome P450 2D6 | CHEMBL1741899 |
CHEMBL1741321
(1)
|
1 / 0 |
| Q9UIF8 | Bromodomain adjacent to zinc finger domain protein 2B | Unclassified protein | CHEMBL1551699 |
CHEMBL1738312
(1)
|
0 / 0 |
| P11712 | Cytochrome P450 2C9 | Cytochrome P450 2C9 | CHEMBL1741899 |
CHEMBL1741325
(1)
|
0 / 1 |
| P05177 | Cytochrome P450 1A2 | Cytochrome P450 1A2 | CHEMBL1741899 |
CHEMBL1741322
(1)
|
0 / 0 |
| P33261 | Cytochrome P450 2C19 | Cytochrome P450 2C19 | CHEMBL1741899 |
CHEMBL1741323
(1)
|
1 / 1 |
| P08684 | Cytochrome P450 3A4 | Cytochrome P450 3A4 | CHEMBL1741899 |
CHEMBL1741324
(1)
|
0 / 1 |