KNApSAcK Metabolite C00026673
Metabolite
KNApSAcK Entry
| id | C00026673 |
|---|---|
| Name | N1-Demethylalstophylline / N(1)-Demethylalstophylline |
| CAS RN | 714252-06-9 |
| Standard InChI | InChI=1S/C21H24N2O3/c1-11(24)16-9-26-10-17-14(16)7-20-21-15(8-19(17)23(20)2)13-5-4-12(25-3)6-18(13)22-21/h4-6,9,14,17,19-20,22H,7-8,10H2,1-3H3/t14-,17+,19-,20-/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C21H24N2O3/c1-11(24)16-9-26-10-17-14(16)7-20-21-15(8-19(17)23(20)2)13-5-4-12(25-3)6-18(13)22-21/h4-6,9,14,17,19-20,22H,7-8,10H2,1-3H3 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 1205 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| asterids | 1 |
Family
| family name | count |
|---|---|
| Apocynaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Alstonia macrophylla | 693366 | Apocynaceae | asterids | Viridiplantae |