KNApSAcK Metabolite C00003717
Metabolite
KNApSAcK Entry
| id | C00003717 |
|---|---|
| Name | Isobrucein A / isobruceine A |
| CAS RN | 57629-50-2 |
| Standard InChI | InChI=1S/C26H34O11/c1-10(2)6-15(28)37-17-19-25-9-35-26(19,23(33)34-5)21(31)16(29)18(25)24(4)12(8-14(25)36-22(17)32)11(3)7-13(27)20(24)30/h7,10,12,14,16-21,29-31H,6,8-9H2,1-5H3/t12-,14+,16+,17+,18+,19+,20+,21-,24-,25+,26-/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C26H34O11/c1-10(2)6-15(28)37-17-19-25-9-35-26(19,23(33)34-5)21(31)16(29)18(25)24(4)12(8-14(25)36-22(17)32)11(3)7-13(27)20(24)30/h7,10,12,14,16-21,29-31H,6,8-9H2,1-5H3 |
Cluster
| Phytochemical cluster | No. 51 |
|---|---|
| KCF-S cluster | No. 704 |
Link
ChEMBL
| By standard InChI | CHEMBL464489 |
|---|---|
| By standard InChI Main Layer | CHEMBL464489 CHEMBL1979791 |
KEGG
| By LinkDB | C08769 |
|---|
CTD
| By CAS RN |
|---|
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 |
|---|---|---|---|---|
| Soulamea tomentosa | 459158 | Simaroubaceae | rosids | Viridiplantae |