KNApSAcK Metabolite C00030549
Metabolite
KNApSAcK Entry
| id | C00030549 |
|---|---|
| Name | Isotingenone III |
| CAS RN | 52613-30-6 |
| Standard InChI | InChI=1S/C28H36O3/c1-16-13-23-25(3,15-22(16)30)11-12-28(6)26(4)9-7-18-17(2)24(31)21(29)14-19(18)20(26)8-10-27(23,28)5/h7-9,14,16,23,29,31H,10-13,15H2,1-6H3/t16-,23-,25+,26-,27+,28-/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C28H36O3/c1-16-13-23-25(3,15-22(16)30)11-12-28(6)26(4)9-7-18-17(2)24(31)21(29)14-19(18)20(26)8-10-27(23,28)5/h7-9,14,16,23,29,31H,10-13,15H2,1-6H3 |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 7656 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| rosids | 1 |
Family
| family name | count |
|---|---|
| Celastraceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Maytenus illicifolia Mart ex Reiss. | 123430 | Celastraceae | rosids | Viridiplantae |