KNApSAcK Metabolite C00046712
Metabolite
KNApSAcK Entry
| id | C00046712 |
|---|---|
| Name | Deacetylpicracin |
| CAS RN | 292159-36-5 |
| Standard InChI | InChI=1S/C30H48O6/c1-25(2,35)12-11-22(33)30(8,36)23-20(32)16-29(7)21-10-9-17-18(15-19(31)24(34)26(17,3)4)27(21,5)13-14-28(23,29)6/h9,11-12,18-21,23-24,31-32,34-36H,10,13-16H2,1-8H3/b12-11+/t18-,19+,20-,21-,23+,24+,27+,28-,29+,30+/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C30H48O6/c1-25(2,35)12-11-22(33)30(8,36)23-20(32)16-29(7)21-10-9-17-18(15-19(31)24(34)26(17,3)4)27(21,5)13-14-28(23,29)6/h9,11-12,18-21,23-24,31-32,34-36H,10,13-16H2,1-8H3 |
Cluster
| Phytochemical cluster | No. 11 |
|---|---|
| KCF-S cluster | No. 220 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | CHEMBL487390 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| asterids | 1 |
Family
| family name | count |
|---|---|
| Plantaginaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Picrorhiza scrophulariaeflora | 195119 | Plantaginaceae | asterids | Viridiplantae |