KCF-S cluster No. 864 (10 metabolites)

Corresponding Phytochemical cluster No. 25



Metabolite list (10)

KNApSAcK ID name ChEMBL link CTD link # of proteins in
ChEMBL interaction
/ related OMIM
/ related KEGG DISEASE
# of genes in
CTD interaction
/ related diseases
figure
C00002473 External link 512 Fraxetin
CHEMBL54909
C105671
32 / 21 / 23 6 / 0
C00002476 External link 512 Herniarin
/ 7-Methoxycoumarin
CHEMBL49732
C007929
23 / 10 / 12
C00002498 External link 512 Scoparone
/ 6,7-Dimethoxycoumarin
/ Aesculetin dimethyl ether
CHEMBL325864
C018145
4 / 2 / 2 6 / 0
C00002499 External link 512 Scopoletin
CHEMBL71851
D012603
48 / 37 / 34 9 / 0
C00019843 External link 512 6,8-Dihydroxy-7-methoxycoumarin
C00031439 External link 512 Yunngnin B
C00037597 External link 512 Paniculal
C00039442 External link 512 Isofraxetin
C00039452 External link 512 Isoscopoletin
CHEMBL390320
12 / 3 / 8
C00045589 External link 512 7-Hydroxy-8-methoxycoumarin
CHEMBL2331585
6 / 2 / 4

Human Protein / Gene in interactions

74 ChEMBL Protein in interactions

accession description class description KNApSAcK metabolite in interactions # of diseases
(OMIM / KEGG)
P43166 Carbonic anhydrase 7 Lyase C00002473 C00002476 C00002499 C00039452 C00045589 0 / 0
O43570 Carbonic anhydrase 12 Lyase C00002473 C00002476 C00002499 C00039452 C00045589 1 / 2
Q16790 Carbonic anhydrase 9 Lyase C00002473 C00002476 C00002499 C00039452 C00045589 0 / 1
P00918 Carbonic anhydrase 2 Lyase C00002473 C00002476 C00002499 C00039452 C00045589 1 / 2
P00915 Carbonic anhydrase 1 Lyase C00002473 C00002476 C00002499 C00039452 C00045589 0 / 0
Q8N1Q1 Carbonic anhydrase 13 Lyase C00002473 C00002499 C00039452 C00045589 0 / 0
P15121 Aldose reductase Enzyme C00002476 C00002499 C00039452 0 / 0
P09917 Arachidonate 5-lipoxygenase Oxidoreductase C00002473 C00002499 C00039452 0 / 0
Q9UBT6 DNA polymerase kappa Enzyme C00002473 C00002476 C00039452 0 / 0
B2RXH2 Lysine-specific demethylase 4E Enzyme C00002473 C00002476 C00002499 0 / 0
Q00796 Sorbitol dehydrogenase Enzyme C00002476 C00002499 C00039452 0 / 0
P15428 15-hydroxyprostaglandin dehydrogenase [NAD(+)] Enzyme C00002473 C00002476 C00002499 2 / 2
Q99714 3-hydroxyacyl-CoA dehydrogenase type-2 Enzyme C00002473 C00002476 C00002499 3 / 3
P00352 Retinal dehydrogenase 1 Enzyme C00002473 C00002476 C00002499 0 / 0
P29466 Caspase-1 C14 C00002473 C00002499 0 / 0
P55210 Caspase-7 C14 C00002473 C00002499 0 / 0
P56817 Beta-secretase 1 A1A C00002476 C00002498 0 / 0
P35354 Prostaglandin G/H synthase 2 Oxidoreductase C00002499 C00039452 0 / 3
P33261 Cytochrome P450 2C19 Cytochrome P450 2C19 C00002473 C00002499 1 / 1
P47989 Xanthine dehydrogenase/oxidase Oxidoreductase C00002499 C00039452 1 / 1
P27695 DNA-(apurinic or apyrimidinic site) lyase Enzyme C00002473 C00002476 0 / 0
O00255 Menin Unclassified protein C00002473 C00002499 2 / 5
P11712 Cytochrome P450 2C9 Cytochrome P450 2C9 C00002473 C00002499 0 / 1
O75496 Geminin Unclassified protein C00002473 C00002499 0 / 0
Q03164 Histone-lysine N-methyltransferase 2A Enzyme C00002473 C00002499 1 / 2
Q99700 Ataxin-2 Unclassified protein C00002473 C00002499 1 / 1
Q9UNA4 DNA polymerase iota Enzyme C00002473 0 / 0
P28845 Corticosteroid 11-beta-dehydrogenase isozyme 1 Enzyme C00002476 1 / 1
P23280 Carbonic anhydrase 6 Lyase C00002476 0 / 0
Q16665 Hypoxia-inducible factor 1-alpha Transcription Factor C00002499 0 / 0
P39748 Flap endonuclease 1 Enzyme C00002473 0 / 0
Q92830 Histone acetyltransferase KAT2A Enzyme C00002499 0 / 0
P23219 Prostaglandin G/H synthase 1 Oxidoreductase C00002473 0 / 0
O60656 UDP-glucuronosyltransferase 1-9 Enzyme C00002499 0 / 0
P54855 UDP-glucuronosyltransferase 2B15 Enzyme C00002499 0 / 0
P05091 Aldehyde dehydrogenase, mitochondrial Oxidoreductase C00002498 1 / 1
P55789 FAD-linked sulfhydryl oxidase ALR Enzyme C00002499 1 / 0
P43220 Glucagon-like peptide 1 receptor Glucagon-like peptide receptor C00002473 0 / 0
P63092 Guanine nucleotide-binding protein G(s) subunit alpha isoforms short Other membrane protein C00002499 7 / 3
Q04206 Transcription factor p65 Transcription Factor C00002499 0 / 0
P06280 Alpha-galactosidase A Enzyme C00002499 1 / 1
P28482 Mitogen-activated protein kinase 1 Erk C00002473 0 / 0
Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Enzyme C00002499 0 / 0
P05177 Cytochrome P450 1A2 Cytochrome P450 1A2 C00002499 0 / 0
P04406 Glyceraldehyde-3-phosphate dehydrogenase Enzyme C00002499 0 / 0
P35218 Carbonic anhydrase 5A, mitochondrial Lyase C00002476 0 / 0
Q9Y2D0 Carbonic anhydrase 5B, mitochondrial Lyase C00002476 0 / 0
Q9HAW9 UDP-glucuronosyltransferase 1-8 Enzyme C00002499 0 / 0
Q9Y4X1 UDP-glucuronosyltransferase 2A1 Enzyme C00002499 0 / 0
P22303 Acetylcholinesterase Hydrolase C00002499 1 / 0
P10253 Lysosomal alpha-glucosidase Hydrolase C00002499 1 / 1
P16050 Arachidonate 15-lipoxygenase Enzyme C00002473 0 / 0
P04062 Glucosylceramidase Enzyme C00002499 6 / 4
P10635 Cytochrome P450 2D6 Cytochrome P450 2D6 C00002499 1 / 0
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 C00002499 0 / 1
Q9ULX7 Carbonic anhydrase 14 Lyase C00002476 0 / 0
O75164 Lysine-specific demethylase 4A Enzyme C00002473 0 / 0
Q9HAW8 UDP-glucuronosyltransferase 1-10 Enzyme C00002499 0 / 0
P22309 UDP-glucuronosyltransferase 1-1 Enzyme C00002499 5 / 1
P10636 Microtubule-associated protein tau Unclassified protein C00002473 4 / 3
P07451 Carbonic anhydrase 3 Lyase C00002476 0 / 0
P22748 Carbonic anhydrase 4 Lyase C00002476 1 / 1
P80365 Corticosteroid 11-beta-dehydrogenase isozyme 2 Enzyme C00002476 1 / 1
Q16637 Survival motor neuron protein Unclassified protein C00002473 4 / 1
O14980 Exportin-1 Unclassified protein C00002476 0 / 0
O75795 UDP-glucuronosyltransferase 2B17 Enzyme C00002499 1 / 0
P46063 ATP-dependent DNA helicase Q1 Enzyme C00002499 0 / 0
Q96KQ7 Histone-lysine N-methyltransferase EHMT2 Enzyme C00002499 0 / 0
Q9NUW8 Tyrosyl-DNA phosphodiesterase 1 Enzyme C00002473 1 / 1
P18031 Tyrosine-protein phosphatase non-receptor type 1 Tyr C00002499 0 / 0
P22310 UDP-glucuronosyltransferase 1-4 Enzyme C00002499 3 / 0
P27338 Amine oxidase [flavin-containing] B Oxidoreductase C00002498 0 / 0
P21397 Amine oxidase [flavin-containing] A Oxidoreductase C00002498 1 / 1
O94925 Glutaminase kidney isoform, mitochondrial Enzyme C00002473 0 / 0

21 Gene in CTD interactions

gene gene name gene description KNApSAcK metabolite in interactions
6347 CCL2, GDCF-2, HC11, HSMCR30, MCAF, MCP-1, MCP1, SCYA2, SMC-CF chemokine (C-C motif) ligand 2 C00002498
3576 IL8, CXCL8, GCP-1, GCP1, LECT, LUCT, LYNAP, MDNCF, MONAP, NAF, NAP-1, NAP1 interleukin 8 C00002498
4790 NFKB1, EBP-1, KBF1, NF-kB1, NF-kappa-B, NF-kappaB, NFKB-p105, NFKB-p50, NFkappaB, p105, p50 nuclear factor of kappa light polypeptide gene enhancer in B-cells 1 C00002498
4792 NFKBIA, IKBA, MAD-3, NFKBI nuclear factor of kappa light polypeptide gene enhancer in B-cells inhibitor, alpha C00002498
5966 REL, C-Rel v-rel avian reticuloendotheliosis viral oncogene homolog C00002498
5970 RELA, NFKB3, p65 v-rel avian reticuloendotheliosis viral oncogene homolog A C00002498
581 BAX, BCL2L4 BCL2-associated X protein C00002473
836 CASP3, CPP32, CPP32B, SCA-1 caspase 3, apoptosis-related cysteine peptidase (EC:3.4.22.56) C00002473
842 CASP9, APAF-3, APAF3, ICE-LAP6, MCH6, PPP1R56 caspase 9, apoptosis-related cysteine peptidase (EC:3.4.22.62) C00002473
847 CAT catalase (EC:1.11.1.6) C00002473
54205 CYCS, CYC, HCS, THC4 cytochrome c, somatic C00002473
6648 SOD2, IPOB, MNSOD, MVCD6 superoxide dismutase 2, mitochondrial (EC:1.15.1.1) C00002473
54658 UGT1A1, BILIQTL1, GNT1, HUG-BR1, UDPGT, UDPGT_1-1, UGT1, UGT1A UDP glucuronosyltransferase 1 family, polypeptide A1 (EC:2.4.1.17) C00002499
54575 UGT1A10, UDPGT, UGT-1J, UGT1-10, UGT1.10, UGT1J UDP glucuronosyltransferase 1 family, polypeptide A10 (EC:2.4.1.17) C00002499
54659 UGT1A3, UDPGT, UDPGT_1-3, UGT-1C, UGT1-03, UGT1.3, UGT1C UDP glucuronosyltransferase 1 family, polypeptide A3 (EC:2.4.1.17) C00002499
54578 UGT1A6, GNT1, HLUGP, HLUGP1, UDPGT, UDPGT_1-6, UGT1, UGT1A6S, UGT1F UDP glucuronosyltransferase 1 family, polypeptide A6 (EC:2.4.1.17) C00002499
54577 UGT1A7, UDPGT, UDPGT_1-7, UGT-1G, UGT1-07, UGT1.7, UGT1G UDP glucuronosyltransferase 1 family, polypeptide A7 (EC:2.4.1.17) C00002499
54576 UGT1A8, UDPGT, UDPGT_1-8, UGT-1H, UGT1-08, UGT1.8, UGT1A8S, UGT1H UDP glucuronosyltransferase 1 family, polypeptide A8 (EC:2.4.1.17) C00002499
54600 UGT1A9, HLUGP4, LUGP4, UDPGT, UDPGT_1-9, UGT-1I, UGT1-09, UGT1-9, UGT1.9, UGT1AI, UGT1I UDP glucuronosyltransferase 1 family, polypeptide A9 (EC:2.4.1.17) C00002499
7366 UGT2B15, HLUG4, UDPGT_2B8, UDPGT2B15, UDPGTH3, UGT2B8 UDP glucuronosyltransferase 2 family, polypeptide B15 (EC:2.4.1.17) C00002499
7508 XPC, RAD4, XP3, XPCC xeroderma pigmentosum, complementation group C C00002499

Related Diseases

Diseases related to proteins in ChEMBL interactions

OMIM (51)

OMIM preferred title UniProt
#300438 17-beta-hydroxysteroid dehydrogenase x deficiency Q99714
#219080 Acth-independent macronodular adrenal hyperplasia; aimah P63092
#610251 Alcohol sensitivity, acute P05091
#218030 Apparent mineralocorticoid excess; ame P80365
#601816 Bilirubin, serum level of, quantitative trait locus 1; biliqtl1 P22309
#612560 Bone mineral density quantitative trait locus 12; bmnd12 O75795
#300615 Brunner syndrome P21397
#604931 Cortisone reductase deficiency 1; cortrd1 P28845
#218800 Crigler-najjar syndrome, type i P22309
P22310
#606785 Crigler-najjar syndrome, type ii P22309
P22310
#119900 Digital clubbing, isolated congenital P15428
#609535 Drug metabolism, poor, cyp2c19-related P33261
#608902 Drug metabolism, poor, cyp2d6-related P10635
#301500 Fabry disease P06280
#600274 Frontotemporal dementia; ftd P10636
#608013 Gaucher disease, perinatal lethal P04062
#230800 Gaucher disease, type i P04062
#230900 Gaucher disease, type ii P04062
#231000 Gaucher disease, type iii P04062
#231005 Gaucher disease, type iiic P04062
#143500 Gilbert syndrome P22309
P22310
#232300 Glycogen storage disease ii P10253
#605130 Hairy elbows, short stature, facial dysmorphism, and developmental delay Q03164
#237900 Hyperbilirubinemia, transient familial neonatal; hblrtfn P22309
#143860 Hyperchlorhidrosis, isolated O43570
#145000 Hyperparathyroidism 1; hrpt1 O00255
#259100 Hypertrophic osteoarthropathy, primary, autosomal recessive, 1; phoar1 P15428
#174800 Mccune-albright syndrome; mas P63092
#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
#613076 Myopathy, mitochondrial progressive, with congenital cataract, hearing loss, and developmental delay P55789
#166350 Osseous heteroplasia, progressive; poh P63092
#259730 Osteopetrosis, autosomal recessive 3; optb3 P00918
#168600 Parkinson disease, late-onset; pd P04062
#260540 Parkinson-dementia syndrome P10636
#172700 Pick disease of brain P10636
#102200 Pituitary adenoma, growth hormone-secreting P63092
#103580 Pseudohypoparathyroidism, type ia; php1a P63092
#603233 Pseudohypoparathyroidism, type ib; php1b P63092
#612462 Pseudohypoparathyroidism, type ic; php1c P63092
#600852 Retinitis pigmentosa 17; rp17 P22748
#253300 Spinal muscular atrophy, type i; sma1 Q16637
#253550 Spinal muscular atrophy, type ii; sma2 Q16637
#253400 Spinal muscular atrophy, type iii; sma3 Q16637
#271150 Spinal muscular atrophy, type iv; sma4 Q16637
#183090 Spinocerebellar ataxia 2; sca2 Q99700
#607250 Spinocerebellar ataxia, autosomal recessive, with axonal neuropathy; scan1 Q9NUW8
#601104 Supranuclear palsy, progressive, 1; psnp1 P10636
#278300 Xanthinuria, type i P47989
#112100 Yt blood group antigen P22303

KEGG DISEASE (43)

KEGG 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)
H01302 Hyperchlorhidrosis isolated (HCHLH) O43570 (related)
H00021 Renal cell carcinoma O43570 (marker)
Q16790 (marker)
H00241 Combined proximal and distal renal tubular acidosis (RTA type 3) P00918 (related)
H00436 Osteopetrosis P00918 (related)
H00066 Lewy body dementia (LBD) P04062 (related)
H00126 Gaucher disease P04062 (related)
H00426 Defects in the degradation of ganglioside P04062 (related)
H00810 Progressive myoclonic epilepsy (PME) P04062 (related)
H01071 Acute alcohol sensitivity P05091 (related)
H00125 Fabry disease P06280 (related)
H00036 Osteosarcoma P08684 (marker)
H00069 Glycogen storage diseases (GSD) P10253 (related)
H00058 Amyotrophic lateral sclerosis (ALS) P10636 (related)
H00077 Progressive supranuclear palsy (PSP) P10636 (related)
H00078 Frontotemporal lobar degeneration (FTLD) P10636 (related)
H01205 Coumarin resistance P11712 (related)
H00457 Primary hypertrophic osteoarthropathy (PHO) P15428 (related)
H01246 Isolated congenital nail clubbing (ICNC) P15428 (related)
H00548 Brunner syndrome P21397 (related)
H00208 Hyperbilirubinemia P22309 (related)
H00527 Retinitis pigmentosa (RP) P22748 (related)
H01111 Cortisone reductase deficiency (CRD) P28845 (related)
H01171 Poor drug metabolism (PM) P33261 (related)
H00017 Esophageal cancer P35354 (related)
H00025 Penile cancer P35354 (related)
H00046 Cholangiocarcinoma P35354 (related)
H00192 Xanthinuria P47989 (related)
H00244 Pseudohypoparathyroidism P63092 (related)
H00441 Progressive osseous heteroplasia (POH) P63092 (related)
H00501 Fibrous dysplasia, polyostotic P63092 (related)
H00259 Apparent mineralocorticoid excess syndrome P80365 (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)
H00455 Spinal muscular atrophy (SMA) Q16637 (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)