PCIDB

KNApSAcK Metabolite C00003651

Metabolite

KNApSAcK Entry

id C00003651
Name 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

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)