KNApSAcK Metabolite C00040409
Metabolite
KNApSAcK Entry
| id | C00040409 |
|---|---|
| Name | Supinenolone B |
| CAS RN | 125456-54-4 |
| Standard InChI | InChI=1S/C30H48O3/c1-17(2)18-9-10-21-27(18,5)13-14-29(7)25-19(31)15-22-26(3,4)23(33)11-12-28(22,6)24(25)20(32)16-30(21,29)8/h17-18,20-23,32-33H,9-16H2,1-8H3/t18-,20+,21-,22+,23+,27-,28+,29-,30+/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C30H48O3/c1-17(2)18-9-10-21-27(18,5)13-14-29(7)25-19(31)15-22-26(3,4)23(33)11-12-28(22,6)24(25)20(32)16-30(21,29)8/h17-18,20-23,32-33H,9-16H2,1-8H3 |
Cluster
| Phytochemical cluster | No. 52 |
|---|---|
| KCF-S cluster | No. 198 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | CHEMBL97827 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| rosids | 1 |
Family
| family name | count |
|---|---|
| Euphorbiaceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Euphorbia supina Rafin | 3977 | Euphorbiaceae | rosids | Viridiplantae |
Human Protein / Gene in interaction
2 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P11388 | DNA topoisomerase 2-alpha | Isomerase | CHEMBL97827 |
CHEMBL667101
(1)
|
0 / 0 |
| Q02880 | DNA topoisomerase 2-beta | Isomerase | CHEMBL97827 |
CHEMBL667101
(1)
|
0 / 0 |