KNApSAcK Metabolite C00016146
Metabolite
KNApSAcK Entry
| id | C00016146 |
|---|---|
| Name | Tryprostatin B / (3S-trans)-Hexahydro-3-[[2-(3-methyl-2-butenyl)-1H-indol-3-yl]methyl]-pyrrolo[1,2-a]pyrazine-1,4-dione |
| CAS RN | 179936-52-8 |
| Standard InChI | InChI=1S/C21H25N3O2/c1-13(2)9-10-17-15(14-6-3-4-7-16(14)22-17)12-18-21(26)24-11-5-8-19(24)20(25)23-18/h3-4,6-7,9,18-19,22H,5,8,10-12H2,1-2H3,(H,23,25)/t18-,19-/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C21H25N3O2/c1-13(2)9-10-17-15(14-6-3-4-7-16(14)22-17)12-18-21(26)24-11-5-8-19(24)20(25)23-18/h3-4,6-7,9,18-19,22H,5,8,10-12H2,1-2H3,(H,23,25) |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 2184 |
Link
ChEMBL
| By standard InChI | CHEMBL36668 |
|---|---|
| By standard InChI Main Layer | CHEMBL36668 CHEMBL35821 CHEMBL288188 CHEMBL38396 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|
Family
| family name | count |
|---|---|
| Aspergillaceae | 1 |
List (2)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Aspergillus fumigatus | 746128 | Aspergillaceae | Fungi | |
| Isaria tenuipes BCC12625 |
Human Protein / Gene in interaction
1 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P11388 | DNA topoisomerase 2-alpha | Isomerase | CHEMBL288188 |
CHEMBL922083
(1)
|
0 / 0 |