KNApSAcK Metabolite C00011361
Metabolite
KNApSAcK Entry
| id | C00011361 |
|---|---|
| Name | Aspochalasin E / (-)-Aspochalasin E |
| CAS RN | 149598-68-5 |
| Standard InChI | InChI=1S/C28H33NO7/c1-16-9-8-12-19-23-27(4,35-23)17(2)21-20(15-18-10-6-5-7-11-18)29-24(31)28(19,21)36-25(32)34-14-13-26(3,33)22(16)30/h5-8,10-14,16-17,19-21,23,33H,9,15H2,1-4H3,(H,29,31)/b12-8+,14-13+/t16-,17-,19-,20-,21-,23-,26+,27+,28+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C28H33NO7/c1-16-9-8-12-19-23-27(4,35-23)17(2)21-20(15-18-10-6-5-7-11-18)29-24(31)28(19,21)36-25(32)34-14-13-26(3,33)22(16)30/h5-8,10-14,16-17,19-21,23,33H,9,15H2,1-4H3,(H,29,31) |
Cluster
| Phytochemical cluster | |
|---|---|
| KCF-S cluster | No. 1208 |
Link
ChEMBL
| By standard InChI | CHEMBL494856 |
|---|---|
| By standard InChI Main Layer | CHEMBL494856 CHEMBL1597050 |
KEGG
| By LinkDB |
|---|
CTD
| By CAS RN |
|---|
Species
Summary
Plant class
| class name | count |
|---|
Family
| family name | count |
|---|---|
| Aspergillaceae | 2 |
| Xylariaceae | 1 |
List (3)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Aspergillus clavatus | 5057 | Aspergillaceae | Fungi | |
| Aspergillus flavipes | 41900 | Aspergillaceae | Fungi | |
| Rosellinia necatrix | 77044 | Xylariaceae | Fungi |
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 | CHEMBL494856 |
CHEMBL2077428
(1)
|
1 / 0 |
| O00255 | Menin | Unclassified protein | CHEMBL1597050 |
CHEMBL1614257
(1)
|
2 / 5 |
| Q03164 | Histone-lysine N-methyltransferase 2A | Enzyme | CHEMBL1597050 |
CHEMBL1614257
(1)
|
1 / 3 |
Related Disease
Diseases related to proteins in ChEMBL interactions
OMIM (4)
| OMIM | preferred title | UniProt |
|---|---|---|
| #605130 | Hairy elbows, short stature, facial dysmorphism, and developmental delay |
Q03164
|
| #145000 | Hyperparathyroidism 1; hrpt1 |
O00255
|
| #612244 | Inflammatory bowel disease 13; ibd13 |
P08183
|
| #131100 | Multiple endocrine neoplasia, type i; men1 |
O00255
|
KEGG DISEASE (7)
| KEGG | disease name | UniProt |
|---|---|---|
| H00033 | Adrenal carcinoma |
O00255
(related)
|
| H00034 | Carcinoid |
O00255
(related)
|
| H00045 | Malignant islet cell carcinoma |
O00255
(related)
|
| H00246 | Primary hyperparathyroidism |
O00255
(related)
|
| H01102 | Pituitary adenomas |
O00255
(related)
|
| H00001 | Acute lymphoblastic leukemia (ALL) (precursor B lymphoblastic leukemia) |
Q03164
(related)
Q03164 (marker) |
| H00002 | Acute lymphoblastic leukemia (ALL) (precursor T lymphoblastic leukemia) |
Q03164
(related)
|