KNApSAcK Metabolite C00016145
Metabolite
KNApSAcK Entry
| id | C00016145 |
|---|---|
| Name | Tryprostatin A / (-)-Tryprostatin A / (3S-trans)-Hexahydro-3-[[6-methoxy-2-(3-methyl-2-butenyl)-1H-indol-3-yl]methyl]-pyrrolo[1,2-a]pyrazine-1,4-dione |
| CAS RN | 171864-80-5 |
| Standard InChI | InChI=1S/C22H27N3O3/c1-13(2)6-9-17-16(15-8-7-14(28-3)11-18(15)23-17)12-19-22(27)25-10-4-5-20(25)21(26)24-19/h6-8,11,19-20,23H,4-5,9-10,12H2,1-3H3,(H,24,26)/t19?,20-/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C22H27N3O3/c1-13(2)6-9-17-16(15-8-7-14(28-3)11-18(15)23-17)12-19-22(27)25-10-4-5-20(25)21(26)24-19/h6-8,11,19-20,23H,4-5,9-10,12H2,1-3H3,(H,24,26) |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 2184 |
Link
ChEMBL
| By standard InChI | |
|---|---|
| By standard InChI Main Layer | CHEMBL38718 CHEMBL39220 CHEMBL39517 CHEMBL289159 |
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
3 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P08183 | Multidrug resistance protein 1 | drug | CHEMBL289159 |
CHEMBL2075367
(1)
|
1 / 0 |
| P11388 | DNA topoisomerase 2-alpha | Isomerase | CHEMBL38718 |
CHEMBL922083
(1)
|
0 / 0 |
| Q9UNQ0 | ATP-binding cassette sub-family G member 2 | ATP binding cassette | CHEMBL289159 |
CHEMBL2075185
(1)
|
2 / 0 |