KNApSAcK Metabolite C00024033
Metabolite
KNApSAcK Entry
| id | C00024033 |
|---|---|
| Name | Scoparic acid A |
| CAS RN | 116425-30-0 |
| Standard InChI | InChI=1S/C27H36O5/c1-18(13-16-28)11-12-21-19(2)17-22(32-24(29)20-9-6-5-7-10-20)23-26(21,3)14-8-15-27(23,4)25(30)31/h5-7,9-10,13,21-23,28H,2,8,11-12,14-17H2,1,3-4H3,(H,30,31)/b18-13+/t21-,22-,23-,26-,27-/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C27H36O5/c1-18(13-16-28)11-12-21-19(2)17-22(32-24(29)20-9-6-5-7-10-20)23-26(21,3)14-8-15-27(23,4)25(30)31/h5-7,9-10,13,21-23,28H,2,8,11-12,14-17H2,1,3-4H3,(H,30,31) |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 1982 |
Link
ChEMBL
| By standard InChI | CHEMBL478591 |
|---|---|
| By standard InChI Main Layer | CHEMBL478591 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN | C055030 |
|---|
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 |
|---|---|---|---|---|
| Scoparia dulcis L. | 107240 | Plantaginaceae | asterids | Viridiplantae |