KNApSAcK Metabolite C00045163
Metabolite
KNApSAcK Entry
| id | C00045163 |
|---|---|
| Name | 19-epi-Isovoacristine |
| CAS RN | 438201-17-3 |
| Standard InChI | InChI=1S/C22H28N2O4/c1-12(25)17-8-13-10-22(21(26)28-3)19-16(6-7-24(11-13)20(17)22)15-5-4-14(27-2)9-18(15)23-19/h4-5,9,12-13,17,20,23,25H,6-8,10-11H2,1-3H3/t12-,13-,17-,20+,22-/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C22H28N2O4/c1-12(25)17-8-13-10-22(21(26)28-3)19-16(6-7-24(11-13)20(17)22)15-5-4-14(27-2)9-18(15)23-19/h4-5,9,12-13,17,20,23,25H,6-8,10-11H2,1-3H3 |
Cluster
| Phytochemical cluster | No. 4 |
|---|---|
| KCF-S cluster | No. 250 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | CHEMBL184378 CHEMBL360973 |
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 |
|---|---|---|---|---|
| Tabernaemontana corymbosa | 52860 | Apocynaceae | asterids | Viridiplantae |