PCIDB

KNApSAcK Metabolite C00002857

Metabolite

KNApSAcK Entry

id C00002857
Name Purpurin
CAS RN 81-54-9
Standard InChI InChI=1S/C14H8O5/c15-8-5-9(16)14(19)11-10(8)12(17)6-3-1-2-4-7(6)13(11)18/h1-5,15-16,19H
Standard InChI (Main Layer) InChI=1S/C14H8O5/c15-8-5-9(16)14(19)11-10(8)12(17)6-3-1-2-4-7(6)13(11)18/h1-5,15-16,19H

Cluster

Phytochemical cluster No. 62
KCF-S cluster No. 41

Link

ChEMBL

By standard InChI CHEMBL294264
By standard InChI Main Layer CHEMBL294264

KEGG

By LinkDB C10395

CTD

By CAS RN C410870

Human Protein / Gene in interaction

33 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
Q99700 Ataxin-2 Unclassified protein CHEMBL294264 CHEMBL2114784 (1)
1 / 1
Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Enzyme CHEMBL294264 CHEMBL1794585 (1) CHEMBL2114875 (1)
CHEMBL2114824 (1)
0 / 0
P11473 Vitamin D3 receptor NR1I1 CHEMBL294264 CHEMBL1794311 (2)
2 / 3
P00352 Retinal dehydrogenase 1 Enzyme CHEMBL294264 CHEMBL1614458 (2)
0 / 0
P50281 Matrix metalloproteinase-14 M10A CHEMBL294264 CHEMBL2354310 (1)
0 / 0
P39748 Flap endonuclease 1 Enzyme CHEMBL294264 CHEMBL1794486 (1)
0 / 0
Q92830 Histone acetyltransferase KAT2A Enzyme CHEMBL294264 CHEMBL1738606 (2)
0 / 0
P38398 Breast cancer type 1 susceptibility protein Enzyme CHEMBL294264 CHEMBL1614303 (2)
4 / 2
Q9Y253 DNA polymerase eta Enzyme CHEMBL294264 CHEMBL1794569 (1)
1 / 1
Q9Y468 Lethal(3)malignant brain tumor-like protein 1 Unclassified protein CHEMBL294264 CHEMBL1614280 (1)
0 / 0
P11308 Transcriptional regulator ERG Unclassified protein CHEMBL294264 CHEMBL2114924 (1)
1 / 2
P83916 Chromobox protein homolog 1 Unclassified protein CHEMBL294264 CHEMBL1794401 (1)
0 / 0
O94782 Ubiquitin carboxyl-terminal hydrolase 1 Enzyme CHEMBL294264 CHEMBL1794467 (2)
0 / 0
P18054 Arachidonate 12-lipoxygenase, 12S-type Enzyme CHEMBL294264 CHEMBL1614252 (1)
2 / 0
P28482 Mitogen-activated protein kinase 1 Erk CHEMBL294264 CHEMBL1614521 (1) CHEMBL1613808 (2)
0 / 0
Q99714 3-hydroxyacyl-CoA dehydrogenase type-2 Enzyme CHEMBL294264 CHEMBL1613910 (2)
3 / 3
P15428 15-hydroxyprostaglandin dehydrogenase [NAD(+)] Enzyme CHEMBL294264 CHEMBL1614038 (2)
2 / 2
P16050 Arachidonate 15-lipoxygenase Enzyme CHEMBL294264 CHEMBL1614240 (2)
0 / 0
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL294264 CHEMBL1614108 (2) CHEMBL1613886 (2)
0 / 1
Q9UNA4 DNA polymerase iota Enzyme CHEMBL294264 CHEMBL1794483 (1)
0 / 0
O75164 Lysine-specific demethylase 4A Enzyme CHEMBL294264 CHEMBL1737991 (1)
0 / 0
P27695 DNA-(apurinic or apyrimidinic site) lyase Enzyme CHEMBL294264 CHEMBL1614211 (2)
0 / 0
P10636 Microtubule-associated protein tau Unclassified protein CHEMBL294264 CHEMBL1614250 (2) CHEMBL1614421 (2)
CHEMBL1614502 (2)
4 / 3
Q9UBT6 DNA polymerase kappa Enzyme CHEMBL294264 CHEMBL1794536 (3)
0 / 0
B2RXH2 Lysine-specific demethylase 4E Enzyme CHEMBL294264 CHEMBL1613914 (2)
0 / 0
P46063 ATP-dependent DNA helicase Q1 Enzyme CHEMBL294264 CHEMBL1613829 (2)
0 / 0
Q9NUW8 Tyrosyl-DNA phosphodiesterase 1 Enzyme CHEMBL294264 CHEMBL1614364 (1)
1 / 1
O75874 Isocitrate dehydrogenase [NADP] cytoplasmic Enzyme CHEMBL294264 CHEMBL2354311 (1)
1 / 0
O00255 Menin Unclassified protein CHEMBL294264 CHEMBL1614257 (2) CHEMBL1614531 (2)
2 / 5
Q03164 Histone-lysine N-methyltransferase 2A Enzyme CHEMBL294264 CHEMBL1614257 (2) CHEMBL1614531 (2)
1 / 3
O94925 Glutaminase kidney isoform, mitochondrial Enzyme CHEMBL294264 CHEMBL2114738 (1)
0 / 0
Q14191 Werner syndrome ATP-dependent helicase Enzyme CHEMBL294264 CHEMBL2114796 (1)
2 / 1
Q13148 TAR DNA-binding protein 43 Unclassified protein CHEMBL294264 CHEMBL2354287 (1)
1 / 1

CTD interaction (5)

compound gene gene name gene description interaction interaction type form reference
pmid
C410870 1543 CYP1A1
AHH
AHRR
CP11
CYP1
P1-450
P450-C
P450DX
cytochrome P450, family 1, subfamily A, polypeptide 1 (EC:1.14.14.1) 1,2,4-trihydroxy-9,10-anthracenedione results in decreased activity of CYP1A1 protein decreases activity
protein 12379470
C410870 1544 CYP1A2
CP12
P3-450
P450(PA)
cytochrome P450, family 1, subfamily A, polypeptide 2 (EC:1.14.14.1) 1,2,4-trihydroxy-9,10-anthracenedione results in decreased activity of CYP1A2 protein decreases activity
protein 12379470
C410870 1545 CYP1B1
CP1B
CYPIB1
GLC3A
P4501B1
cytochrome P450, family 1, subfamily B, polypeptide 1 (EC:1.14.14.1) 1,2,4-trihydroxy-9,10-anthracenedione results in decreased activity of CYP1B1 protein decreases activity
protein 12379470
C410870 1548 CYP2A6
CPA6
CYP2A
CYP2A3
CYPIIA6
P450C2A
P450PB
cytochrome P450, family 2, subfamily A, polypeptide 6 (EC:1.14.14.1) 1,2,4-trihydroxy-9,10-anthracenedione results in decreased activity of CYP2A6 protein decreases activity
protein 12379470
C410870 1571 CYP2E1
CPE1
CYP2E
P450-J
P450C2E
cytochrome P450, family 2, subfamily E, polypeptide 1 (EC:1.14.13.n7) 1,2,4-trihydroxy-9,10-anthracenedione results in decreased activity of CYP2E1 protein decreases activity
protein 12379470

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (27)

OMIM preferred title UniProt
#300438 17-beta-hydroxysteroid dehydrogenase x deficiency Q99714
#612069 Amyotrophic lateral sclerosis 10, with or without frontotemporal dementia; als10 Q13148
#114480 Breast cancer P38398
#604370 Breast-ovarian cancer, familial, susceptibility to, 1; brovca1 P38398
#114500 Colorectal cancer; crc P18054
Q14191
#119900 Digital clubbing, isolated congenital P15428
#133239 Esophageal cancer P18054
#612219 Ewing sarcoma; es P11308
#600274 Frontotemporal dementia; ftd P10636
#137800 Glioma susceptibility 1; glm1 O75874
#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
#300705 Mental retardation, x-linked 17; mrx17 Q99714
#300220 Mental retardation, x-linked, syndromic 10; mrxs10 Q99714
#131100 Multiple endocrine neoplasia, type i; men1 O00255
#607948 Mycobacterium tuberculosis, susceptibility to P11473
#167000 Ovarian cancer P38398
#614320 Pancreatic cancer, susceptibility to, 4; pnca4 P38398
#260540 Parkinson-dementia syndrome P10636
#172700 Pick disease of brain P10636
#183090 Spinocerebellar ataxia 2; sca2 Q99700
#607250 Spinocerebellar ataxia, autosomal recessive, with axonal neuropathy; scan1 Q9NUW8
#601104 Supranuclear palsy, progressive, 1; psnp1 P10636
#277440 Vitamin d-dependent rickets, type 2a; vddr2a P11473
#277700 Werner syndrome; wrn Q14191
#278750 Xeroderma pigmentosum, variant type; xpv Q9Y253

KEGG DISEASE (26)

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)
H00036 Osteosarcoma P08684 (marker)
H00058 Amyotrophic lateral sclerosis (ALS) P10636 (related)
Q13148 (related)
H00077 Progressive supranuclear palsy (PSP) P10636 (related)
H00078 Frontotemporal lobar degeneration (FTLD) P10636 (related)
H00024 Prostate cancer P11308 (related)
H00035 Ewing's sarcoma P11308 (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)
H00027 Ovarian cancer P38398 (related)
H00031 Breast cancer P38398 (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)
H00296 Defects in RecQ helicases Q14191 (related)
H00063 Spinocerebellar ataxia (SCA) Q99700 (related)
Q9NUW8 (related)
H00480 Non-syndromic X-linked mental retardation Q99714 (related)
H00658 Syndromic X-linked mental retardation Q99714 (related)
H00925 2-Methyl-3-hydroxybutyryl-CoA dehydrogenase (MHBD) deficiency Q99714 (related)
H00403 Disorders of nucleotide excision repair Q9Y253 (related)