PCIDB

KNApSAcK Metabolite C00006976

Metabolite

KNApSAcK Entry

id C00006976
Name 3,2'-Dihydroxy-4,4',6'-trimethoxychalcone
CAS RN 38186-71-9
Standard InChI InChI=1S/C18H18O6/c1-22-12-9-15(21)18(17(10-12)24-3)13(19)6-4-11-5-7-16(23-2)14(20)8-11/h4-10,20-21H,1-3H3/b6-4+
Standard InChI (Main Layer) InChI=1S/C18H18O6/c1-22-12-9-15(21)18(17(10-12)24-3)13(19)6-4-11-5-7-16(23-2)14(20)8-11/h4-10,20-21H,1-3H3

Cluster

Phytochemical cluster
KCF-S cluster No. 79

Link

ChEMBL

By standard InChI CHEMBL571087
By standard InChI Main Layer CHEMBL571087

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
rosids 1

Family

family name count
Rutaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Merrillia caloxylon 159055 Rutaceae rosids Viridiplantae

Human Protein / Gene in interaction

15 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
P04637 Cellular tumor antigen p53 Transcription Factor CHEMBL571087 CHEMBL1613992 (1) CHEMBL1613995 (1)
7 / 44
O75604 Ubiquitin carboxyl-terminal hydrolase 2 Enzyme CHEMBL571087 CHEMBL1614331 (1)
0 / 0
P11473 Vitamin D3 receptor NR1I1 CHEMBL571087 CHEMBL1794311 (1)
2 / 3
O15296 Arachidonate 15-lipoxygenase B Enzyme CHEMBL571087 CHEMBL1613800 (1)
0 / 0
P00352 Retinal dehydrogenase 1 Enzyme CHEMBL571087 CHEMBL1614458 (1)
0 / 0
O94782 Ubiquitin carboxyl-terminal hydrolase 1 Enzyme CHEMBL571087 CHEMBL1794467 (1)
0 / 0
P28482 Mitogen-activated protein kinase 1 Erk CHEMBL571087 CHEMBL1614521 (1) CHEMBL1613808 (1)
0 / 0
P15428 15-hydroxyprostaglandin dehydrogenase [NAD(+)] Enzyme CHEMBL571087 CHEMBL1614038 (1)
2 / 2
P16050 Arachidonate 15-lipoxygenase Enzyme CHEMBL571087 CHEMBL1614240 (1)
0 / 0
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL571087 CHEMBL1614108 (1) CHEMBL1613886 (1)
0 / 1
P10636 Microtubule-associated protein tau Unclassified protein CHEMBL571087 CHEMBL1614421 (1) CHEMBL1614502 (1)
4 / 3
B2RXH2 Lysine-specific demethylase 4E Enzyme CHEMBL571087 CHEMBL1613914 (1)
0 / 0
Q9NUW8 Tyrosyl-DNA phosphodiesterase 1 Enzyme CHEMBL571087 CHEMBL1614364 (1)
1 / 1
O00255 Menin Unclassified protein CHEMBL571087 CHEMBL1614257 (1)
2 / 5
Q03164 Histone-lysine N-methyltransferase 2A Enzyme CHEMBL571087 CHEMBL1614257 (1)
1 / 3

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (19)

OMIM preferred title UniProt
#202300 Adrenocortical carcinoma, hereditary; adcc P04637
#614740 Basal cell carcinoma, susceptibility to, 7; bcc7 P04637
#119900 Digital clubbing, isolated congenital P15428
#133239 Esophageal cancer P04637
#600274 Frontotemporal dementia; ftd P10636
#605130 Hairy elbows, short stature, facial dysmorphism, and developmental delay Q03164
#145000 Hyperparathyroidism 1; hrpt1 O00255
#259100 Hypertrophic osteoarthropathy, primary, autosomal recessive, 1; phoar1 P15428
#151623 Li-fraumeni syndrome 1; lfs1 P04637
#211980 Lung cancer P04637
#131100 Multiple endocrine neoplasia, type i; men1 O00255
#607948 Mycobacterium tuberculosis, susceptibility to P11473
#260500 Papilloma of choroid plexus; cpp P04637
#260540 Parkinson-dementia syndrome P10636
#172700 Pick disease of brain P10636
#607250 Spinocerebellar ataxia, autosomal recessive, with axonal neuropathy; scan1 Q9NUW8
#275355 Squamous cell carcinoma, head and neck; hnscc P04637
#601104 Supranuclear palsy, progressive, 1; psnp1 P10636
#277440 Vitamin d-dependent rickets, type 2a; vddr2a P11473

KEGG DISEASE (52)

KEGG disease name UniProt
H00033 Adrenal carcinoma O00255 (related)
P04637 (related)
H00034 Carcinoid O00255 (related)
H00045 Malignant islet cell carcinoma O00255 (related)
H00246 Primary hyperparathyroidism O00255 (related)
H01102 Pituitary adenomas O00255 (related)
H00004 Chronic myeloid leukemia (CML) P04637 (related)
H00005 Chronic lymphocytic leukemia (CLL) P04637 (related)
H00006 Hairy-cell leukemia P04637 (related)
H00008 Burkitt lymphoma P04637 (related)
H00009 Adult T-cell leukemia P04637 (related)
H00010 Multiple myeloma P04637 (related)
H00013 Small cell lung cancer P04637 (related)
H00014 Non-small cell lung cancer P04637 (related)
H00015 Malignant pleural mesothelioma P04637 (related)
H00016 Oral cancer P04637 (related)
P04637 (marker)
H00017 Esophageal cancer P04637 (related)
P04637 (marker)
H00018 Gastric cancer P04637 (related)
H00019 Pancreatic cancer P04637 (related)
P04637 (marker)
H00020 Colorectal cancer P04637 (related)
P04637 (marker)
H00022 Bladder cancer P04637 (related)
H00025 Penile cancer P04637 (related)
P04637 (marker)
H00026 Endometrial Cancer P04637 (related)
H00027 Ovarian cancer P04637 (related)
H00028 Choriocarcinoma P04637 (related)
H00029 Vulvar cancer P04637 (related)
H00031 Breast cancer P04637 (related)
H00032 Thyroid cancer P04637 (related)
H00036 Osteosarcoma P04637 (related)
P08684 (marker)
H00038 Malignant melanoma P04637 (related)
H00039 Basal cell carcinoma P04637 (related)
H00040 Squamous cell carcinoma P04637 (related)
H00041 Kaposi's sarcoma P04637 (related)
H00042 Glioma P04637 (related)
P04637 (marker)
H00044 Cancer of the anal canal P04637 (related)
H00046 Cholangiocarcinoma P04637 (related)
H00047 Gallbladder cancer P04637 (related)
H00048 Hepatocellular carcinoma P04637 (related)
H00055 Laryngeal cancer P04637 (related)
P04637 (marker)
H00881 Li-Fraumeni syndrome P04637 (related)
H01007 Choroid plexus papilloma P04637 (related)
H00021 Renal cell carcinoma P04637 (marker)
H00058 Amyotrophic lateral sclerosis (ALS) P10636 (related)
H00077 Progressive supranuclear palsy (PSP) P10636 (related)
H00078 Frontotemporal lobar degeneration (FTLD) P10636 (related)
H00342 Tuberculosis P11473 (related)
H00784 Localized autosomal recessive hypotrichosis P11473 (related)
H01143 Vitamin D-dependent rickets P11473 (related)
H00457 Primary hypertrophic osteoarthropathy (PHO) P15428 (related)
H01246 Isolated congenital nail clubbing (ICNC) P15428 (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)
H00063 Spinocerebellar ataxia (SCA) Q9NUW8 (related)