KNApSAcK Metabolite C00048314
Metabolite
KNApSAcK Entry
| id | C00048314 |
|---|---|
| Name | alpha-Ecdysone |
| CAS RN | 3604-87-3 |
| Standard InChI | InChI=1S/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3/t15-,16+,17-,19-,20+,22+,23-,25+,26+,27+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3 |
Cluster
| Phytochemical cluster | No. 11 |
|---|---|
| KCF-S cluster | No. 58 |
Link
ChEMBL
| By standard InChI | CHEMBL549300 |
|---|---|
| By standard InChI Main Layer | CHEMBL549300 CHEMBL1456897 |
KEGG
| By LinkDB | C00477 |
|---|
CTD
| By CAS RN | D004440 |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| asterids | 1 |
Family
| family name | count |
|---|---|
| Asteraceae | 1 |
List (1)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Rhaponticum carthamoides | 362630 | Asteraceae | asterids | Viridiplantae |
Human Protein / Gene in interaction
4 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P08183 | Multidrug resistance protein 1 | drug | CHEMBL549300 |
CHEMBL2091088
(1)
CHEMBL2091093
(1)
CHEMBL2091096 (1) CHEMBL2091099 (1) |
1 / 0 |
| P83916 | Chromobox protein homolog 1 | Unclassified protein | CHEMBL1456897 |
CHEMBL1794401
(1)
|
0 / 0 |
| O00255 | Menin | Unclassified protein | CHEMBL1456897 |
CHEMBL1614257
(1)
|
2 / 5 |
| Q03164 | Histone-lysine N-methyltransferase 2A | Enzyme | CHEMBL1456897 |
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)
|