PCIDB

KNApSAcK Metabolite C00001028

Metabolite

KNApSAcK Entry

id C00001028
Name 5,7-Dimethoxyflavone / chrysin 5,7-dimethyl ether
CAS RN 21392-57-4
Standard InChI InChI=1S/C17H14O4/c1-19-12-8-15(20-2)17-13(18)10-14(21-16(17)9-12)11-6-4-3-5-7-11/h3-10H,1-2H3
Standard InChI (Main Layer) InChI=1S/C17H14O4/c1-19-12-8-15(20-2)17-13(18)10-14(21-16(17)9-12)11-6-4-3-5-7-11/h3-10H,1-2H3

Cluster

Phytochemical cluster No. 15
KCF-S cluster No. 35

Link

ChEMBL

By standard InChI CHEMBL275391
By standard InChI Main Layer CHEMBL275391

KEGG

By LinkDB C10029

CTD

By CAS RN C060298

Human Protein / Gene in interaction

14 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P00352 Retinal dehydrogenase 1 Enzyme CHEMBL275391 CHEMBL1614458 (1)
0 / 0
P51151 Ras-related protein Rab-9A Unclassified protein CHEMBL275391 CHEMBL1613838 (1)
0 / 0
P38398 Breast cancer type 1 susceptibility protein Enzyme CHEMBL275391 CHEMBL2114807 (1)
4 / 2
P43220 Glucagon-like peptide 1 receptor Glucagon-like peptide receptor CHEMBL275391 CHEMBL2114788 (1)
0 / 0
P51843 Nuclear receptor subfamily 0 group B member 1 Nuclear hormone receptor subfamily 0 group B member 1 CHEMBL275391 CHEMBL2354292 (1)
2 / 2
Q9UNQ0 ATP-binding cassette sub-family G member 2 ATP binding cassette CHEMBL275391 CHEMBL1687393 (1) CHEMBL1687394 (1)
2 / 0
O15118 Niemann-Pick C1 protein Unclassified protein CHEMBL275391 CHEMBL1614342 (1)
1 / 1
Q96QE3 ATPase family AAA domain-containing protein 5 Unclassified protein CHEMBL275391 CHEMBL1738588 (1) CHEMBL1738317 (1)
0 / 0
Q9UNA4 DNA polymerase iota Enzyme CHEMBL275391 CHEMBL1794483 (1)
0 / 0
Q9UBT6 DNA polymerase kappa Enzyme CHEMBL275391 CHEMBL1794536 (1)
0 / 0
B2RXH2 Lysine-specific demethylase 4E Enzyme CHEMBL275391 CHEMBL1613914 (1)
0 / 0
O00255 Menin Unclassified protein CHEMBL275391 CHEMBL1614257 (1)
2 / 5
Q03164 Histone-lysine N-methyltransferase 2A Enzyme CHEMBL275391 CHEMBL1614257 (1)
1 / 3
Q13148 TAR DNA-binding protein 43 Unclassified protein CHEMBL275391 CHEMBL2354287 (1)
1 / 1

CTD interaction (8)

compound gene gene name gene description interaction interaction type form reference
pmid
C060298 1543 CYP1A1
AHH
AHRR
CP11
CYP1
P1-450
P450-C
P450DX
cytochrome P450, family 1, subfamily A, polypeptide 1 (EC:1.14.14.1) 5,7-dimethoxyflavone inhibits the reaction [Benzo(a)pyrene results in increased expression of and results in increased activity of CYP1A1 protein] decreases reaction
/ increases activity
/ increases expression
protein 15661813
16484233
C060298 1543 CYP1A1
AHH
AHRR
CP11
CYP1
P1-450
P450-C
P450DX
cytochrome P450, family 1, subfamily A, polypeptide 1 (EC:1.14.14.1) 5,7-dimethoxyflavone inhibits the reaction [Benzo(a)pyrene results in increased expression of CYP1A1 mRNA] decreases reaction
/ increases expression
mRNA 15661813
15905203
C060298 1543 CYP1A1
AHH
AHRR
CP11
CYP1
P1-450
P450-C
P450DX
cytochrome P450, family 1, subfamily A, polypeptide 1 (EC:1.14.14.1) 5,7-dimethoxyflavone inhibits the reaction [Benzo(a)pyrene results in increased expression of CYP1A1 protein] decreases reaction
/ increases expression
protein 15905203
C060298 1543 CYP1A1
AHH
AHRR
CP11
CYP1
P1-450
P450-C
P450DX
cytochrome P450, family 1, subfamily A, polypeptide 1 (EC:1.14.14.1) 5,7-dimethoxyflavone results in decreased activity of CYP1A1 protein decreases activity
protein 15661813
C060298 1545 CYP1B1
CP1B
CYPIB1
GLC3A
P4501B1
cytochrome P450, family 1, subfamily B, polypeptide 1 (EC:1.14.14.1) 5,7-dimethoxyflavone inhibits the reaction [Benzo(a)pyrene results in increased activity of CYP1B1 protein] decreases reaction
/ increases activity
protein 16484233
C060298 1545 CYP1B1
CP1B
CYPIB1
GLC3A
P4501B1
cytochrome P450, family 1, subfamily B, polypeptide 1 (EC:1.14.14.1) 5,7-dimethoxyflavone inhibits the reaction [Benzo(a)pyrene results in increased expression of CYP1B1 mRNA] decreases reaction
/ increases expression
mRNA 16530937
C060298 1545 CYP1B1
CP1B
CYPIB1
GLC3A
P4501B1
cytochrome P450, family 1, subfamily B, polypeptide 1 (EC:1.14.14.1) 5,7-dimethoxyflavone inhibits the reaction [Benzo(a)pyrene results in increased expression of CYP1B1 protein] decreases reaction
/ increases expression
protein 16530937
C060298 1545 CYP1B1
CP1B
CYPIB1
GLC3A
P4501B1
cytochrome P450, family 1, subfamily B, polypeptide 1 (EC:1.14.14.1) 5,7-dimethoxyflavone results in decreased activity of CYP1B1 protein decreases activity
protein 15905203

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (13)

OMIM preferred title UniProt
#300018 46,xy sex reversal 2; srxy2 P51843
#300200 Adrenal hypoplasia, congenital; ahc P51843
#612069 Amyotrophic lateral sclerosis 10, with or without frontotemporal dementia; als10 Q13148
#614490 Blood group, junior system; jr Q9UNQ0
#114480 Breast cancer P38398
#604370 Breast-ovarian cancer, familial, susceptibility to, 1; brovca1 P38398
#605130 Hairy elbows, short stature, facial dysmorphism, and developmental delay Q03164
#145000 Hyperparathyroidism 1; hrpt1 O00255
#131100 Multiple endocrine neoplasia, type i; men1 O00255
#257220 Niemann-pick disease, type c1; npc1 O15118
#167000 Ovarian cancer P38398
#614320 Pancreatic cancer, susceptibility to, 4; pnca4 P38398
#138900 Uric acid concentration, serum, quantitative trait locus 1; uaqtl1 Q9UNQ0

KEGG DISEASE (13)

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)
H00136 Niemann-Pick disease type C (NPC) O15118 (related)
H00027 Ovarian cancer P38398 (related)
H00031 Breast cancer P38398 (related)
H00552 Glycerol kinase deficiency (GKD) P51843 (related)
H00607 46,XY disorders of sex development (Disorders of gonadal development) P51843 (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)
H00058 Amyotrophic lateral sclerosis (ALS) Q13148 (related)

Diseases related to CTD interactions

3 disease from interactions of metabolites

MeSH disease OMIM compound disease name evidence type reference
pmid
D004938 C060298 Esophageal Neoplasms therapeutic
16530937
D008114 C060298 Liver Neoplasms, Experimental therapeutic
21554863
D011230 C060298 Precancerous Conditions therapeutic
21554863