KNApSAcK Metabolite C00001683
Metabolite
KNApSAcK Entry
| id | C00001683 |
|---|---|
| Name | Alstonine |
| CAS RN | 47485-83-6 |
| Standard InChI | InChI=1S/C21H20N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-8,11-12,15-16H,9-10H2,1-2H3/t12-,15-,16-/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C21H20N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-8,11-12,15-16H,9-10H2,1-2H3 |
Cluster
| Phytochemical cluster | No. 4 |
|---|---|
| KCF-S cluster | No. 4006 |
Link
ChEMBL
| By standard InChI | CHEMBL1187439 |
|---|---|
| By standard InChI Main Layer | CHEMBL14755 CHEMBL1187439 CHEMBL1994588 |
KEGG
| By LinkDB | C09028 |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| asterids | 5 |
Family
| family name | count |
|---|---|
| Apocynaceae | 5 |
List (5)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Alstonia constricta | 52821 | Apocynaceae | asterids | Viridiplantae |
| Rauvolfia hirsuta | 4059 | Apocynaceae | asterids | Viridiplantae |
| Rauvolfia obscura | 4059 | Apocynaceae | asterids | Viridiplantae |
| Rauvolfia vomitoria | 403115 | Apocynaceae | asterids | Viridiplantae |
| Vinca rosea | 4058 | 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) |
|---|---|---|---|---|---|
| P10635 | Cytochrome P450 2D6 | Cytochrome P450 2D6 | CHEMBL14755 |
CHEMBL729206
(1)
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