PCIDB

KNApSAcK Metabolite C00001019

Metabolite

KNApSAcK Entry

id C00001019
Name Apiin
CAS RN 26544-34-3
Standard InChI InChI=1S/C26H28O14/c27-8-18-20(32)21(33)22(40-25-23(34)26(35,9-28)10-36-25)24(39-18)37-13-5-14(30)19-15(31)7-16(38-17(19)6-13)11-1-3-12(29)4-2-11/h1-7,18,20-25,27-30,32-35H,8-10H2/t18?,20-,21+,22?,23-,24-,25+,26?/m1/s1
Standard InChI (Main Layer) InChI=1S/C26H28O14/c27-8-18-20(32)21(33)22(40-25-23(34)26(35,9-28)10-36-25)24(39-18)37-13-5-14(30)19-15(31)7-16(38-17(19)6-13)11-1-3-12(29)4-2-11/h1-7,18,20-25,27-30,32-35H,8-10H2

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 1

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL1077561 CHEMBL1451695 CHEMBL1535342

KEGG

By LinkDB C04858

CTD

By CAS RN C012186

Human Protein / Gene in interaction

7 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
Q9UIF8 Bromodomain adjacent to zinc finger domain protein 2B Unclassified protein CHEMBL1535342 CHEMBL1738312 (1)
0 / 0
Q9NR56 Muscleblind-like protein 1 Unclassified protein CHEMBL1535342 CHEMBL1614166 (1)
1 / 0
O75496 Geminin Unclassified protein CHEMBL1535342 CHEMBL2114780 (1)
0 / 0
O94782 Ubiquitin carboxyl-terminal hydrolase 1 Enzyme CHEMBL1451695 CHEMBL1794467 (1)
0 / 0
B2RXH2 Lysine-specific demethylase 4E Enzyme CHEMBL1451695 CHEMBL1613914 (1)
0 / 0
O00255 Menin Unclassified protein CHEMBL1451695 CHEMBL1535342 CHEMBL1614257 (2)
2 / 5
Q03164 Histone-lysine N-methyltransferase 2A Enzyme CHEMBL1451695 CHEMBL1535342 CHEMBL1614257 (2)
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
#131100 Multiple endocrine neoplasia, type i; men1 O00255
#160900 Myotonic dystrophy 1; dm1 Q9NR56

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)