KCF-S cluster No. 224 (27 metabolites)

Corresponding Phytochemical cluster No. 25


Plant Species


Cumulative plant class count

class name count
asterids 53

Cumulative family count

class name count
Apiaceae 51
Rubiaceae 2

Metabolite list (27)

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
C00002451 External link 512 Archangelicin
CHEMBL1426896
17 / 18 / 10
C00002452 External link 512 Athamantin
C00002468 External link 512 Dihydrosamidin
CHEMBL1302867
13 / 28 / 22
C00002469 External link 512 Disenecionyl cis-khellactone
CHEMBL339068
CHEMBL517515
C00002470 External link 512 (3'R,4'R)-3'-Epoxyangeloyloxy-4'-acetoxy-3'4'-dihydroseselin
CHEMBL69235
C00002478 External link 512 Isosamidin
C00002492 External link 512 Peucenidin
C00002494 External link 512 Pteryxin
CHEMBL71876
CHEMBL1376728
CHEMBL1494966
CHEMBL1884860
C019546
16 / 18 / 45
C00002497 External link 512 Samidin
C00002504 External link 512 Visnadin
CHEMBL2104448
C067604
C00019856 External link 512 (+)-trans-4'-Acetyl-3'-tigloylkhellactone
CHEMBL72191
CHEMBL1378488
6 / 5 / 3
C00019858 External link 512 Edulisin IV
C00019859 External link 512 Edulisin V
C00019997 External link 512 Peucedanocoumarin I
CHEMBL2104448
C00019998 External link 512 Peucedanocoumarin II
CHEMBL71876
CHEMBL1376728
CHEMBL1494966
CHEMBL1884860
16 / 18 / 45
C00019999 External link 512 Peucedanocoumarin III
CHEMBL71876
CHEMBL1376728
CHEMBL1494966
CHEMBL1884860
16 / 18 / 45
C00024192 External link 512 Decursidin
C00029642 External link 512 Ad-I
C00030015 External link 512 Corymbocoumarin
CHEMBL68513
CHEMBL129045
C00030937 External link 512 Pd-II
/ (+)-Pareruptorin B
CHEMBL71951
CHEMBL1468714
CHEMBL1610853
22 / 41 / 33
C00031866 External link 512 Hyuganin A
/ (-)-Hyuganin A
CHEMBL307863
C00031867 External link 512 Hyuganin B
/ (-)-Hyuganin B
CHEMBL302978
C00031868 External link 512 Hyuganin C
/ (-)-Hyuganin C
CHEMBL68513
CHEMBL129045
C00031869 External link 512 Hyuganin D
/ (+)-Hyuganin D
CHEMBL70302
C00031899 External link 512 Isoepoxypteryxin
CHEMBL69235
C00031910 External link 512 Isopteryxin
/ (-)-Isopteryxin
CHEMBL72191
CHEMBL1378488
6 / 5 / 3
C00032263 External link 512 Suksdorfin
/ (+)-Suksdorfin
CHEMBL68513
CHEMBL129045
C094037

Human Protein / Gene in interactions

37 ChEMBL Protein in interactions

accession description class description KNApSAcK metabolite in interactions # of diseases
(OMIM / KEGG)
P00352 Retinal dehydrogenase 1 Enzyme C00002451 C00002468 C00002494 C00019856 C00019998 C00019999 C00030937 C00031910 0 / 0
P84022 Mothers against decapentaplegic homolog 3 Unclassified protein C00002451 C00002468 C00002494 C00019856 C00019998 C00019999 C00030937 C00031910 2 / 0
B2RXH2 Lysine-specific demethylase 4E Enzyme C00002451 C00002468 C00002494 C00019856 C00019998 C00019999 C00030937 C00031910 0 / 0
P15428 15-hydroxyprostaglandin dehydrogenase [NAD(+)] Enzyme C00002451 C00002468 C00002494 C00019856 C00019998 C00019999 C00031910 2 / 2
P43220 Glucagon-like peptide 1 receptor Glucagon-like peptide receptor C00002451 C00002468 C00002494 C00019998 C00019999 C00030937 0 / 0
O75496 Geminin Unclassified protein C00002451 C00002494 C00019998 C00019999 C00030937 0 / 0
Q99700 Ataxin-2 Unclassified protein C00002451 C00002494 C00019998 C00019999 C00030937 1 / 1
Q16236 Nuclear factor erythroid 2-related factor 2 Unclassified protein C00002451 C00002494 C00019998 C00019999 C00030937 0 / 0
Q9UNA4 DNA polymerase iota Enzyme C00002494 C00019998 C00019999 C00030937 0 / 0
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 C00002468 C00002494 C00019998 C00019999 0 / 1
Q99714 3-hydroxyacyl-CoA dehydrogenase type-2 Enzyme C00002468 C00002494 C00019998 C00019999 3 / 3
P42858 Huntingtin Unclassified protein C00002451 C00019856 C00030937 C00031910 1 / 1
P04637 Cellular tumor antigen p53 Transcription Factor C00002494 C00019998 C00019999 7 / 37
O94782 Ubiquitin carboxyl-terminal hydrolase 1 Enzyme C00002494 C00019998 C00019999 0 / 0
Q9NR56 Muscleblind-like protein 1 Unclassified protein C00002494 C00019998 C00019999 1 / 0
P06746 DNA polymerase beta Enzyme C00002451 C00019856 C00031910 0 / 0
P06280 Alpha-galactosidase A Enzyme C00002494 C00019998 C00019999 1 / 1
P10253 Lysosomal alpha-glucosidase Hydrolase C00002494 C00019998 C00019999 1 / 1
Q6W5P4 Neuropeptide S receptor Neuropeptide receptor C00002468 C00030937 1 / 0
P63092 Guanine nucleotide-binding protein G(s) subunit alpha isoforms short Other membrane protein C00002451 C00030937 7 / 3
P02545 Prelamin-A/C Unclassified protein C00002468 C00030937 11 / 10
P04062 Glucosylceramidase Enzyme C00002468 C00030937 6 / 4
P10636 Microtubule-associated protein tau Unclassified protein C00002451 C00030937 4 / 3
O75874 Isocitrate dehydrogenase [NADP] cytoplasmic Enzyme C00002451 C00030937 1 / 0
Q96QE3 ATPase family AAA domain-containing protein 5 Unclassified protein C00002451 C00030937 0 / 0
P83916 Chromobox protein homolog 1 Unclassified protein C00002451 0 / 0
P28482 Mitogen-activated protein kinase 1 Erk C00002468 0 / 0
P25929 Neuropeptide Y receptor type 1 Neuropeptide Y receptor C00002451 0 / 0
P16473 Thyrotropin receptor Glycohormone receptor C00002468 3 / 2
Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Enzyme C00030937 0 / 0
P49146 Neuropeptide Y receptor type 2 Neuropeptide Y receptor C00002451 0 / 0
P46063 ATP-dependent DNA helicase Q1 Enzyme C00030937 0 / 0
Q96KQ7 Histone-lysine N-methyltransferase EHMT2 Enzyme C00002468 0 / 0
Q16637 Survival motor neuron protein Unclassified protein C00030937 4 / 1
O00255 Menin Unclassified protein C00030937 2 / 5
Q03164 Histone-lysine N-methyltransferase 2A Enzyme C00030937 1 / 2
P01215 Glycoprotein hormones alpha chain Unclassified protein C00030937 0 / 3

Related Diseases

Diseases related to proteins in ChEMBL interactions

OMIM (59)

OMIM preferred title UniProt
#300438 17-beta-hydroxysteroid dehydrogenase x deficiency Q99714
#219080 Acth-independent macronodular adrenal hyperplasia; aimah P63092
#202300 Adrenocortical carcinoma, hereditary; adcc P04637
#608584 Asthma-related traits, susceptibility to, 2 Q6W5P4
#614740 Basal cell carcinoma, susceptibility to, 7; bcc7 P04637
#115200 Cardiomyopathy, dilated, 1a; cmd1a P02545
#212112 Cardiomyopathy, dilated, with hypergonadotropic hypogonadism P02545
#605588 Charcot-marie-tooth disease, axonal, type 2b1; cmt2b1 P02545
#114500 Colorectal cancer; crc P84022
#119900 Digital clubbing, isolated congenital P15428
#181350 Emery-dreifuss muscular dystrophy 2, autosomal dominant; edmd2 P02545
#133239 Esophageal cancer P04637
#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
#137800 Glioma susceptibility 1; glm1 O75874
#232300 Glycogen storage disease ii P10253
#605130 Hairy elbows, short stature, facial dysmorphism, and developmental delay Q03164
#610140 Heart-hand syndrome, slovenian type P02545
#143100 Huntington disease; hd P42858
#176670 Hutchinson-gilford progeria syndrome; hgps P02545
#145000 Hyperparathyroidism 1; hrpt1 O00255
#603373 Hyperthyroidism, familial gestational P16473
#609152 Hyperthyroidism, nonautoimmune P16473
#259100 Hypertrophic osteoarthropathy, primary, autosomal recessive, 1; phoar1 P15428
#275200 Hypothyroidism, congenital, nongoitrous, 1; chng1 P16473
#151623 Li-fraumeni syndrome 1; lfs1 P04637
#151660 Lipodystrophy, familial partial, type 2; fpld2 P02545
#613795 Loeys-dietz syndrome, type 3; lds3 P84022
#211980 Lung cancer P04637
#248370 Mandibuloacral dysplasia with type a lipodystrophy; mada P02545
#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
#613205 Muscular dystrophy, congenital, lmna-related P02545
#159001 Muscular dystrophy, limb-girdle, type 1b; lgmd1b P02545
#160900 Myotonic dystrophy 1; dm1 Q9NR56
#166350 Osseous heteroplasia, progressive; poh P63092
#260500 Papilloma of choroid plexus; cpp P04637
#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
#275210 Restrictive dermopathy, lethal P02545
#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
#275355 Squamous cell carcinoma, head and neck; hnscc P04637
#601104 Supranuclear palsy, progressive, 1; psnp1 P10636

KEGG DISEASE (77)

KEGG 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)
H00081 Hashimoto's thyroiditis P01215 (marker)
H00082 Graves' disease P01215 (marker)
H00250 Congenital nongoitrous hypothyroidism (CHNG) P01215 (marker)
P16473 (related)
H00264 Charcot-Marie-Tooth disease (CMT) P02545 (related)
H00294 Dilated cardiomyopathy (DCM) P02545 (related)
H00420 Familial partial lipodystrophy (FPL) P02545 (related)
H00563 Emery-Dreifuss muscular dystrophy P02545 (related)
H00590 Congenital muscular dystrophies (CMD/MDC) P02545 (related)
H00593 Limb-girdle muscular dystrophy (LGMD) P02545 (related)
H00601 Hutchinson-Gilford progeria syndrome P02545 (related)
H00663 Restrictive dermopathy P02545 (related)
H00665 Mandibuloacral dysplasia P02545 (related)
H01216 Left ventricular noncompaction (LVNC) P02545 (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)
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)
H00125 Fabry disease P06280 (related)
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)
H00457 Primary hypertrophic osteoarthropathy (PHO) P15428 (related)
H01246 Isolated congenital nail clubbing (ICNC) P15428 (related)
H01269 Congenital hyperthyroidism P16473 (related)
H00059 Huntington's disease (HD) P42858 (related)
H00244 Pseudohypoparathyroidism P63092 (related)
H00441 Progressive osseous heteroplasia (POH) P63092 (related)
H00501 Fibrous dysplasia, polyostotic P63092 (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)
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)