PCIDB

KNApSAcK Metabolite C00013596

Metabolite

KNApSAcK Entry

id C00013596
Name Sinensetin / Pedalitin permethyl ether / 5,6,7,3',4'-Pentamethoxyflavone / 2-(3,4-Dimethoxyphenyl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one
CAS RN 2306-27-6
Standard InChI InChI=1S/C20H20O7/c1-22-13-7-6-11(8-15(13)23-2)14-9-12(21)18-16(27-14)10-17(24-3)19(25-4)20(18)26-5/h6-10H,1-5H3
Standard InChI (Main Layer) InChI=1S/C20H20O7/c1-22-13-7-6-11(8-15(13)23-2)14-9-12(21)18-16(27-14)10-17(24-3)19(25-4)20(18)26-5/h6-10H,1-5H3

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 8

Link

ChEMBL

By standard InChI CHEMBL226507
By standard InChI Main Layer CHEMBL226507

KEGG

By LinkDB C10186

CTD

By CAS RN C059295

Human Protein / Gene in interaction

7 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P04798 Cytochrome P450 1A1 Cytochrome P450 1A1 CHEMBL226507 CHEMBL1780385 (1)
0 / 0
P08183 Multidrug resistance protein 1 drug CHEMBL226507 CHEMBL1687396 (1) CHEMBL2076249 (1)
1 / 0
Q92830 Histone acetyltransferase KAT2A Enzyme CHEMBL226507 CHEMBL1738606 (1)
0 / 0
Q9UNQ0 ATP-binding cassette sub-family G member 2 ATP binding cassette CHEMBL226507 CHEMBL1687393 (1) CHEMBL1687394 (1)
2 / 0
Q9UBT6 DNA polymerase kappa Enzyme CHEMBL226507 CHEMBL1794536 (1)
0 / 0
O00255 Menin Unclassified protein CHEMBL226507 CHEMBL1614257 (1)
2 / 5
Q03164 Histone-lysine N-methyltransferase 2A Enzyme CHEMBL226507 CHEMBL1614257 (1)
1 / 3

CTD interaction (3)

compound gene gene name gene description interaction interaction type form reference
pmid
C059295 1543 CYP1A1
AHH
AHRR
CP11
CYP1
P1-450
P450-C
P450DX
cytochrome P450, family 1, subfamily A, polypeptide 1 (EC:1.14.14.1) CYP1A1 protein results in increased metabolism of sinensetin increases metabolic processing
protein 19666078
C059295 1544 CYP1A2
CP12
P3-450
P450(PA)
cytochrome P450, family 1, subfamily A, polypeptide 2 (EC:1.14.14.1) CYP1A2 protein results in increased metabolism of sinensetin increases metabolic processing
protein 19666078
C059295 1545 CYP1B1
CP1B
CYPIB1
GLC3A
P4501B1
cytochrome P450, family 1, subfamily B, polypeptide 1 (EC:1.14.14.1) CYP1B1 protein results in increased metabolism of sinensetin increases metabolic processing
protein 19666078

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (6)

OMIM preferred title UniProt
#614490 Blood group, junior system; jr Q9UNQ0
#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
#138900 Uric acid concentration, serum, quantitative trait locus 1; uaqtl1 Q9UNQ0

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)