KNApSAcK Metabolite C00038704
Metabolite
KNApSAcK Entry
| id | C00038704 |
|---|---|
| Name | Cardenolide N-3 / (+)-Cardenolide N-3 |
| CAS RN | 946833-91-6 |
| Standard InChI | InChI=1S/C30H42O8/c1-16-25(32)20(33-4)13-24(35-16)36-19-6-8-26(2)17(11-19)5-10-28-21(26)7-9-27(3)29(28,38-28)14-22-30(27,37-22)18-12-23(31)34-15-18/h12,16-17,19-22,24-25,32H,5-11,13-15H2,1-4H3/t16-,17-,19+,20+,21-,22-,24+,25+,26+,27+,28+,29-,30-/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C30H42O8/c1-16-25(32)20(33-4)13-24(35-16)36-19-6-8-26(2)17(11-19)5-10-28-21(26)7-9-27(3)29(28,38-28)14-22-30(27,37-22)18-12-23(31)34-15-18/h12,16-17,19-22,24-25,32H,5-11,13-15H2,1-4H3 |
Cluster
| Phytochemical cluster | No. 56 |
|---|---|
| KCF-S cluster | No. 109 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | CHEMBL229203 |
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 |
|---|---|---|---|---|
| Nerium oleander | 63479 | Apocynaceae | asterids | Viridiplantae |