KNApSAcK Metabolite C00028576
Metabolite
KNApSAcK Entry
| id | C00028576 |
|---|---|
| Name | Mesaconitine |
| CAS RN | 2752-64-9 |
| Standard InChI | InChI=1S/C33H45NO11/c1-16(35)45-33-21-18(13-31(39,28(43-6)26(33)37)27(21)44-29(38)17-10-8-7-9-11-17)32-20(41-4)12-19(36)30(15-40-3)14-34(2)25(32)22(33)23(42-5)24(30)32/h7-11,18-28,36-37,39H,12-15H2,1-6H3/t18-,19-,20+,21-,22?,23+,24-,25?,26+,27-,28+,30+,31-,32?,33-/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C33H45NO11/c1-16(35)45-33-21-18(13-31(39,28(43-6)26(33)37)27(21)44-29(38)17-10-8-7-9-11-17)32-20(41-4)12-19(36)30(15-40-3)14-34(2)25(32)22(33)23(42-5)24(30)32/h7-11,18-28,36-37,39H,12-15H2,1-6H3 |
Cluster
| Phytochemical cluster | No. 10 |
|---|---|
| KCF-S cluster | No. 138 |
Link
ChEMBL
| By standard InChI | CHEMBL1877791 |
|---|---|
| By standard InChI Main Layer | CHEMBL1877791 |
KEGG
| By LinkDB | C08698 |
|---|
CTD
| By CAS RN | C019470 |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| eudicotyledons | 15 |
Family
| family name | count |
|---|---|
| Ranunculaceae | 15 |
List (15)
* NCBI
Human Protein / Gene in interaction
1 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| Q9UNA4 | DNA polymerase iota | Enzyme | CHEMBL1877791 |
CHEMBL1794483
(1)
|
0 / 0 |