KNApSAcK Metabolite C00025524
Metabolite
KNApSAcK Entry
| id | C00025524 |
|---|---|
| Name | N-Demethylmitiphylline |
| CAS RN | 36948-64-8 |
| Standard InChI | InChI=1S/C30H47NO6/c1-17-27(31)24(34-4)15-26(36-17)37-20-7-10-28(2)19(14-20)5-6-23-22(28)8-11-29(3)21(9-12-30(23,29)33)18-13-25(32)35-16-18/h13,17,19-24,26-27,33H,5-12,14-16,31H2,1-4H3/t17?,19-,20+,21-,22+,23-,24?,26?,27?,28+,29-,30+/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C30H47NO6/c1-17-27(31)24(34-4)15-26(36-17)37-20-7-10-28(2)19(14-20)5-6-23-22(28)8-11-29(3)21(9-12-30(23,29)33)18-13-25(32)35-16-18/h13,17,19-24,26-27,33H,5-12,14-16,31H2,1-4H3 |
Cluster
| Phytochemical cluster | No. 56 |
|---|---|
| KCF-S cluster | No. 109 |
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 |
|---|---|---|---|---|
| Holarrhena mitis | 69380 | Apocynaceae | asterids | Viridiplantae |