KNApSAcK Metabolite C00003718
Metabolite
KNApSAcK Entry
| id | C00003718 |
|---|---|
| Name | Isobrucein B / isobruceine B |
| CAS RN | 53663-03-9 |
| Standard InChI | InChI=1S/C23H28O11/c1-8-5-11(25)17(27)21(3)10(8)6-12-22-7-32-23(20(30)31-4,18(28)13(26)15(21)22)16(22)14(19(29)34-12)33-9(2)24/h5,10,12-18,26-28H,6-7H2,1-4H3/t10-,12+,13+,14+,15+,16+,17+,18-,21-,22+,23-/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C23H28O11/c1-8-5-11(25)17(27)21(3)10(8)6-12-22-7-32-23(20(30)31-4,18(28)13(26)15(21)22)16(22)14(19(29)34-12)33-9(2)24/h5,10,12-18,26-28H,6-7H2,1-4H3 |
Cluster
| Phytochemical cluster | No. 51 |
|---|---|
| KCF-S cluster | No. 704 |
Link
ChEMBL
| By standard InChI | CHEMBL475082 |
|---|---|
| By standard InChI Main Layer | CHEMBL475082 |
KEGG
| By LinkDB | C08770 |
|---|
CTD
| By CAS RN | C076339 |
|---|
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 antidysenterica | 459111 | Simaroubaceae | rosids | Viridiplantae |