KNApSAcK Metabolite C00001741
Metabolite
KNApSAcK Entry
| id | C00001741 |
|---|---|
| Name | Ibogaine |
| CAS RN | 83-74-9 |
| Standard InChI | InChI=1S/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13+,17+,20+/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3 |
Cluster
| Phytochemical cluster | No. 4 |
|---|---|
| KCF-S cluster | No. 2446 |
Link
ChEMBL
| By standard InChI | CHEMBL1215855 |
|---|---|
| By standard InChI Main Layer | CHEMBL222287 CHEMBL1215855 |
KEGG
| By LinkDB | C09214 |
|---|
CTD
| By CAS RN | D007050 |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| asterids | 4 |
Family
| family name | count |
|---|---|
| Apocynaceae | 4 |
List (4)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Ervatamia officinalis | 4056 | Apocynaceae | asterids | Viridiplantae |
| Tabernaemontana bovina | 52860 | Apocynaceae | asterids | Viridiplantae |
| Tabernanthe iboga | 141617 | Apocynaceae | asterids | Viridiplantae |
| Voacanga thouarsii | 1237849 | Apocynaceae | asterids | Viridiplantae |
Human Protein / Gene in interaction
1 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P31645 | Sodium-dependent serotonin transporter | Serotonin | CHEMBL222287 |
CHEMBL977948
(1)
|
2 / 0 |
Related Disease
Diseases related to proteins in ChEMBL interactions
OMIM (2)
| OMIM | preferred title | UniProt |
|---|---|---|
| #103780 | Alcohol dependence |
P31645
|
| #164230 | Obsessive-compulsive disorder; ocd |
P31645
|