PCIDB

KNApSAcK Metabolite C00016317

Metabolite

KNApSAcK Entry

id C00016317
Name NSC 624610 / Emodic acid / 9,10-Dihydro-4,5,7-trihydroxy-9,10-dioxo-2-anthroic acid
CAS RN 478-45-5
Standard InChI InChI=1S/C15H8O7/c16-6-3-8-12(10(18)4-6)14(20)11-7(13(8)19)1-5(15(21)22)2-9(11)17/h1-4,16-18H,(H,21,22)
Standard InChI (Main Layer) InChI=1S/C15H8O7/c16-6-3-8-12(10(18)4-6)14(20)11-7(13(8)19)1-5(15(21)22)2-9(11)17/h1-4,16-18H,(H,21,22)

Cluster

Phytochemical cluster No. 62
KCF-S cluster No. 1811

Link

ChEMBL

By standard InChI CHEMBL290914
By standard InChI Main Layer CHEMBL290914

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count

Family

family name count
Aspergillaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Penicillium sp. 5081 Aspergillaceae Fungi

Human Protein / Gene in interaction

32 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
Q07820 Induced myeloid leukemia cell differentiation protein Mcl-1 Other cytosolic protein CHEMBL290914 CHEMBL1107300 (1)
0 / 0
Q9UIF8 Bromodomain adjacent to zinc finger domain protein 2B Unclassified protein CHEMBL290914 CHEMBL1738312 (1)
0 / 0
Q99700 Ataxin-2 Unclassified protein CHEMBL290914 CHEMBL2114784 (1)
1 / 1
P14618 Pyruvate kinase PKM Enzyme CHEMBL290914 CHEMBL1613996 (1) CHEMBL1614428 (1)
0 / 0
P08246 Neutrophil elastase S1A CHEMBL290914 CHEMBL678116 (1)
2 / 1
P06746 DNA polymerase beta Enzyme CHEMBL290914 CHEMBL1614079 (1)
0 / 0
Q13547 Histone deacetylase 1 Hydrolase CHEMBL290914 CHEMBL1107299 (1)
0 / 0
Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Enzyme CHEMBL290914 CHEMBL1794585 (1)
0 / 0
Q9NR56 Muscleblind-like protein 1 Unclassified protein CHEMBL290914 CHEMBL1614166 (1)
1 / 0
P00352 Retinal dehydrogenase 1 Enzyme CHEMBL290914 CHEMBL1614458 (2)
0 / 0
P39748 Flap endonuclease 1 Enzyme CHEMBL290914 CHEMBL1794486 (1)
0 / 0
P08311 Cathepsin G S1A CHEMBL290914 CHEMBL661851 (1)
0 / 0
Q9Y253 DNA polymerase eta Enzyme CHEMBL290914 CHEMBL1794569 (1)
1 / 1
Q9Y468 Lethal(3)malignant brain tumor-like protein 1 Unclassified protein CHEMBL290914 CHEMBL1614280 (1)
0 / 0
O94782 Ubiquitin carboxyl-terminal hydrolase 1 Enzyme CHEMBL290914 CHEMBL1794467 (1)
0 / 0
P28482 Mitogen-activated protein kinase 1 Erk CHEMBL290914 CHEMBL1614521 (1) CHEMBL1613808 (1)
0 / 0
P15428 15-hydroxyprostaglandin dehydrogenase [NAD(+)] Enzyme CHEMBL290914 CHEMBL1614038 (1)
2 / 2
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 CHEMBL290914 CHEMBL1614108 (1) CHEMBL1613886 (1)
0 / 1
Q9UNA4 DNA polymerase iota Enzyme CHEMBL290914 CHEMBL1794483 (1)
0 / 0
O75164 Lysine-specific demethylase 4A Enzyme CHEMBL290914 CHEMBL1737991 (1)
0 / 0
P27695 DNA-(apurinic or apyrimidinic site) lyase Enzyme CHEMBL290914 CHEMBL1614466 (1) CHEMBL1614211 (2)
0 / 0
P10636 Microtubule-associated protein tau Unclassified protein CHEMBL290914 CHEMBL1614421 (2) CHEMBL1614502 (2)
4 / 3
Q16236 Nuclear factor erythroid 2-related factor 2 Unclassified protein CHEMBL290914 CHEMBL1738184 (1)
0 / 0
Q9UBT6 DNA polymerase kappa Enzyme CHEMBL290914 CHEMBL1794536 (2)
0 / 0
P46063 ATP-dependent DNA helicase Q1 Enzyme CHEMBL290914 CHEMBL1613829 (1)
0 / 0
Q9NUW8 Tyrosyl-DNA phosphodiesterase 1 Enzyme CHEMBL290914 CHEMBL1614364 (2)
1 / 1
O00255 Menin Unclassified protein CHEMBL290914 CHEMBL1614257 (2)
2 / 5
Q03164 Histone-lysine N-methyltransferase 2A Enzyme CHEMBL290914 CHEMBL1614257 (2)
1 / 3
Q13951 Core-binding factor subunit beta Unclassified protein CHEMBL290914 CHEMBL1613933 (1)
0 / 1
Q01196 Runt-related transcription factor 1 Unclassified protein CHEMBL290914 CHEMBL1613933 (1)
1 / 6
O94925 Glutaminase kidney isoform, mitochondrial Enzyme CHEMBL290914 CHEMBL2114738 (1)
0 / 0
Q14191 Werner syndrome ATP-dependent helicase Enzyme CHEMBL290914 CHEMBL2114796 (1)
2 / 1

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (18)

OMIM preferred title UniProt
#114500 Colorectal cancer; crc Q14191
#162800 Cyclic neutropenia P08246
#119900 Digital clubbing, isolated congenital P15428
#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
#131100 Multiple endocrine neoplasia, type i; men1 O00255
#160900 Myotonic dystrophy 1; dm1 Q9NR56
#202700 Neutropenia, severe congenital, 1, autosomal dominant; scn1 P08246
#260540 Parkinson-dementia syndrome P10636
#172700 Pick disease of brain P10636
#601399 Platelet disorder, familial, with associated myeloid malignancy Q01196
#183090 Spinocerebellar ataxia 2; sca2 Q99700
#607250 Spinocerebellar ataxia, autosomal recessive, with axonal neuropathy; scan1 Q9NUW8
#601104 Supranuclear palsy, progressive, 1; psnp1 P10636
#277700 Werner syndrome; wrn Q14191
#278750 Xeroderma pigmentosum, variant type; xpv Q9Y253

KEGG DISEASE (20)

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)
H00100 Neutropenic disorders P08246 (related)
H00036 Osteosarcoma P08684 (marker)
H00058 Amyotrophic lateral sclerosis (ALS) P10636 (related)
H00077 Progressive supranuclear palsy (PSP) P10636 (related)
H00078 Frontotemporal lobar degeneration (FTLD) P10636 (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) Q01196 (related)
Q01196 (marker)
Q03164 (related)
Q03164 (marker)
H00003 Acute myeloid leukemia (AML) Q01196 (related)
Q01196 (marker)
Q13951 (marker)
H00004 Chronic myeloid leukemia (CML) Q01196 (related)
H00978 Thrombocytopenia (THC) Q01196 (related)
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)
H00403 Disorders of nucleotide excision repair Q9Y253 (related)