KNApSAcK Metabolite C00003701
Metabolite
KNApSAcK Entry
| id | C00003701 |
|---|---|
| Name | Bruceine B |
| CAS RN | 25514-29-8 |
| Standard InChI | InChI=1S/C23H28O11/c1-8-10-5-12-22-7-32-23(20(30)31-4,17(22)15(19(29)34-12)33-9(2)24)18(28)14(27)16(22)21(10,3)6-11(25)13(8)26/h10,12,14-18,26-28H,5-7H2,1-4H3/t10-,12+,14+,15+,16+,17+,18-,21-,22+,23-/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C23H28O11/c1-8-10-5-12-22-7-32-23(20(30)31-4,17(22)15(19(29)34-12)33-9(2)24)18(28)14(27)16(22)21(10,3)6-11(25)13(8)26/h10,12,14-18,26-28H,5-7H2,1-4H3 |
Cluster
| Phytochemical cluster | No. 51 |
|---|---|
| KCF-S cluster | No. 2130 |
Link
ChEMBL
| By standard InChI | CHEMBL140809 |
|---|---|
| By standard InChI Main Layer | CHEMBL140809 |
KEGG
| By LinkDB | C08751 |
|---|
CTD
| By CAS RN | C024965 |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| rosids | 1 |
Family
| family name | count |
|---|---|
| Simaroubaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Brucea amarissima | 43722 | Simaroubaceae | rosids | Viridiplantae |