KCF-S cluster No. 657 (12 metabolites)

Corresponding Phytochemical cluster No. 4


Plant Species


Cumulative plant class count

class name count
asterids 19
Liliopsida 7

Cumulative family count

class name count
Convolvulaceae 19
Clavicipitaceae 9
Poaceae 7

KEGG BRITE br08003 External link 512


Categories (1)

br08003 Category # of metabolite
Indole alkaloids 3

metabolites link (3)

br08003 Category KEGG ID KNApSAcK ID
Indole alkaloids C09160 C00001718
Indole alkaloids C07543 C00001722
Indole alkaloids C07541 C00011201

Metabolite list (12)

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
C00001718 External link 512 Ergine
/ Lysergic acid amide
CHEMBL227213
C016543
4 / 2 / 0 0 / 1
C00001722 External link 512 Ergobasine
/ Ergonovine
/ Ergometrine
CHEMBL119443
CHEMBL1368134
CHEMBL1555758
CHEMBL1617719
D004874
110 / 65 / 61 0 / 5
C00011201 External link 512 Lysergic acid
D008237
C00011202 External link 512 8-Hydroxyergine
C00011203 External link 512 Erginine
/ Isolysergic acid amide
CHEMBL227213
4 / 2 / 0
C00011204 External link 512 8-Hydroxyerginine
C00011206 External link 512 Ergobasinin
/ Ergobasinine
/ Ergonovinine
/ Ergometrinin
/ Isoergometrine
CHEMBL119443
CHEMBL1368134
CHEMBL1555758
CHEMBL1617719
110 / 65 / 61
C00011215 External link 512 Setoclavine
C00011216 External link 512 Isosetoclavin
C00011220 External link 512 Penniclavine
C00039447 External link 512 Isolysergic acid alpha-hydroxy ethylamide
C00039674 External link 512 Lysergic acid alpha-hydroxy ethylamide
C040195

Human Protein / Gene in interactions

110 ChEMBL Protein in interactions

accession description class description KNApSAcK metabolite in interactions # of diseases
(OMIM / KEGG)
P21728 D(1A) dopamine receptor Dopamine receptor C00001718 C00001722 C00011203 C00011206 0 / 0
P30542 Adenosine receptor A1 Adenosine receptor C00001718 C00001722 C00011203 C00011206 0 / 0
P29274 Adenosine receptor A2a Adenosine receptor C00001718 C00001722 C00011203 C00011206 0 / 0
P14416 D(2) dopamine receptor Dopamine receptor C00001718 C00001722 C00011203 C00011206 2 / 0
P28223 5-hydroxytryptamine receptor 2A Serotonin receptor C00001722 C00011206 0 / 0
P08246 Neutrophil elastase S1A C00001722 C00011206 2 / 1
P33765 Adenosine receptor A3 Adenosine receptor C00001722 C00011206 0 / 0
Q16539 Mitogen-activated protein kinase 14 p38 C00001722 C00011206 0 / 0
P49146 Neuropeptide Y receptor type 2 Neuropeptide Y receptor C00001722 C00011206 0 / 0
P29466 Caspase-1 C14 C00001722 C00011206 0 / 0
P17252 Protein kinase C alpha type Alpha C00001722 C00011206 0 / 0
P27361 Mitogen-activated protein kinase 3 Erk C00001722 C00011206 0 / 0
P14780 Matrix metalloproteinase-9 M10A C00001722 C00011206 2 / 2
P02545 Prelamin-A/C Unclassified protein C00001722 C00011206 11 / 10
P00918 Carbonic anhydrase 2 Lyase C00001722 C00011206 1 / 2
P07550 Beta-2 adrenergic receptor Adrenergic receptor C00001722 C00011206 0 / 1
P21397 Amine oxidase [flavin-containing] A Oxidoreductase C00001722 C00011206 1 / 1
P25021 Histamine H2 receptor Histamine receptor C00001722 C00011206 0 / 0
P35367 Histamine H1 receptor Histamine receptor C00001722 C00011206 0 / 0
Q01959 Sodium-dependent dopamine transporter Dopamine C00001722 C00011206 1 / 0
P08912 Muscarinic acetylcholine receptor M5 Acetylcholine receptor C00001722 C00011206 0 / 0
P18825 Alpha-2C adrenergic receptor Adrenergic receptor C00001722 C00011206 0 / 0
P13945 Beta-3 adrenergic receptor Adrenergic receptor C00001722 C00011206 0 / 0
P08183 Multidrug resistance protein 1 drug C00001722 C00011206 1 / 0
P25024 C-X-C chemokine receptor type 1 CXC chemokine receptor C00001722 C00011206 0 / 0
P06241 Tyrosine-protein kinase Fyn Src C00001722 C00011206 0 / 0
Q08209 Serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform Ser_Thr C00001722 C00011206 0 / 0
P11712 Cytochrome P450 2C9 Cytochrome P450 2C9 C00001722 C00011206 0 / 1
P00533 Epidermal growth factor receptor TK tyrosine-protein kinase EGFR subfamily C00001722 C00011206 1 / 8
P11473 Vitamin D3 receptor NR1I1 C00001722 C00011206 2 / 3
P35354 Prostaglandin G/H synthase 2 Oxidoreductase C00001722 C00011206 0 / 3
P23219 Prostaglandin G/H synthase 1 Oxidoreductase C00001722 C00011206 0 / 0
P37288 Vasopressin V1a receptor Vasopressin and oxytocin receptor C00001722 C00011206 0 / 0
P41145 Kappa-type opioid receptor Opioid receptor C00001722 C00011206 0 / 0
Q9Y271 Cysteinyl leukotriene receptor 1 Leukotriene receptor C00001722 C00011206 0 / 0
P10635 Cytochrome P450 2D6 Cytochrome P450 2D6 C00001722 C00011206 1 / 0
P25929 Neuropeptide Y receptor type 1 Neuropeptide Y receptor C00001722 C00011206 0 / 0
P50052 Type-2 angiotensin II receptor Angiotensin receptor C00001722 C00011206 1 / 1
P17948 Vascular endothelial growth factor receptor 1 Vegfr C00001722 C00011206 0 / 0
P41968 Melanocortin receptor 3 Melanocortin receptor C00001722 C00011206 1 / 0
P00352 Retinal dehydrogenase 1 Enzyme C00001722 C00011206 0 / 0
P11509 Cytochrome P450 2A6 Cytochrome P450 2A6 C00001722 C00011206 0 / 0
Q92830 Histone acetyltransferase KAT2A Enzyme C00001722 C00011206 0 / 0
P04035 3-hydroxy-3-methylglutaryl-coenzyme A reductase Oxidoreductase C00001722 C00011206 0 / 0
P08913 Alpha-2A adrenergic receptor Adrenergic receptor C00001722 C00011206 0 / 0
P21917 D(4) dopamine receptor Dopamine receptor C00001722 C00011206 0 / 0
P30988 Calcitonin receptor Calcitonin receptor C00001722 C00011206 0 / 0
P35462 D(3) dopamine receptor Dopamine receptor C00001722 C00011206 1 / 0
P41143 Delta-type opioid receptor Opioid receptor C00001722 C00011206 0 / 0
Q92731 Estrogen receptor beta NR3A2 C00001722 C00011206 0 / 1
P41595 5-hydroxytryptamine receptor 2B Serotonin receptor C00001722 C00011206 0 / 0
P25101 Endothelin-1 receptor Endothelin receptor C00001722 C00011206 0 / 0
P30411 B2 bradykinin receptor Bradykinin receptor C00001722 C00011206 0 / 0
P32245 Melanocortin receptor 4 Melanocortin receptor C00001722 C00011206 1 / 0
P32238 Cholecystokinin receptor type A Cholecystokinin receptor C00001722 C00011206 0 / 0
P08311 Cathepsin G S1A C00001722 C00011206 0 / 0
Q99720 Sigma non-opioid intracellular receptor 1 Membrane receptor C00001722 C00011206 1 / 0
P03956 Interstitial collagenase M10A C00001722 C00011206 0 / 1
P32241 Vasoactive intestinal polypeptide receptor 1 Vasoactive intestinal peptide receptor C00001722 C00011206 0 / 0
Q03164 Histone-lysine N-methyltransferase 2A Enzyme C00001722 C00011206 1 / 2
Q9HC16 DNA dC->dU-editing enzyme APOBEC-3G Enzyme C00001722 C00011206 0 / 0
P04150 Glucocorticoid receptor NR3C1 C00001722 C00011206 0 / 1
P08172 Muscarinic acetylcholine receptor M2 Acetylcholine receptor C00001722 C00011206 2 / 0
P11229 Muscarinic acetylcholine receptor M1 Acetylcholine receptor C00001722 C00011206 0 / 0
P21554 Cannabinoid receptor 1 Cannabinoid receptor C00001722 C00011206 0 / 0
P31645 Sodium-dependent serotonin transporter Serotonin C00001722 C00011206 2 / 0
P04626 Receptor tyrosine-protein kinase erbB-2 TK tyrosine-protein kinase EGFR subfamily C00001722 C00011206 5 / 9
P20309 Muscarinic acetylcholine receptor M3 Acetylcholine receptor C00001722 C00011206 1 / 0
P21452 Substance-K receptor Neurokinin receptor C00001722 C00011206 0 / 0
P51679 C-C chemokine receptor type 4 CC chemokine receptor C00001722 C00011206 0 / 0
P51681 C-C chemokine receptor type 5 CC chemokine receptor C00001722 C00011206 3 / 0
P50406 5-hydroxytryptamine receptor 6 Serotonin receptor C00001722 C00011206 0 / 0
P41597 C-C chemokine receptor type 2 CC chemokine receptor C00001722 C00011206 1 / 0
P28482 Mitogen-activated protein kinase 1 Erk C00001722 C00011206 0 / 0
P08575 Receptor-type tyrosine-protein phosphatase C Enzyme C00001722 C00011206 2 / 1
P05177 Cytochrome P450 1A2 Cytochrome P450 1A2 C00001722 C00011206 0 / 0
Q99714 3-hydroxyacyl-CoA dehydrogenase type-2 Enzyme C00001722 C00011206 3 / 3
P15428 15-hydroxyprostaglandin dehydrogenase [NAD(+)] Enzyme C00001722 C00011206 2 / 2
O76074 cGMP-specific 3',5'-cyclic phosphodiesterase PDE_5A C00001722 C00011206 0 / 0
P03372 Estrogen receptor NR3A1 C00001722 C00011206 1 / 1
P08588 Beta-1 adrenergic receptor Adrenergic receptor C00001722 C00011206 1 / 0
P22303 Acetylcholinesterase Hydrolase C00001722 C00011206 1 / 0
Q12809 Potassium voltage-gated channel subfamily H member 2 KCNH, Kv10-12.x (Ether-a-go-go) C00001722 C00011206 2 / 2
P28335 5-hydroxytryptamine receptor 2C Serotonin receptor C00001722 C00011206 0 / 0
P35372 Mu-type opioid receptor Opioid receptor C00001722 C00011206 0 / 0
P08173 Muscarinic acetylcholine receptor M4 Acetylcholine receptor C00001722 C00011206 0 / 0
P25103 Substance-P receptor Neurokinin receptor C00001722 C00011206 0 / 0
P25105 Platelet-activating factor receptor PAF receptor C00001722 C00011206 0 / 0
P33032 Melanocortin receptor 5 Melanocortin receptor C00001722 C00011206 0 / 0
P55210 Caspase-7 C14 C00001722 C00011206 0 / 0
P33261 Cytochrome P450 2C19 Cytochrome P450 2C19 C00001722 C00011206 1 / 1
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 C00001722 C00011206 0 / 1
P05181 Cytochrome P450 2E1 Cytochrome P450 2E1 C00001722 C00011206 0 / 0
P27695 DNA-(apurinic or apyrimidinic site) lyase Enzyme C00001722 C00011206 0 / 0
P10636 Microtubule-associated protein tau Unclassified protein C00001722 C00011206 4 / 3
P23975 Sodium-dependent noradrenaline transporter Norepinephrine C00001722 C00011206 1 / 1
P25100 Alpha-1D adrenergic receptor Adrenergic receptor C00001722 C00011206 0 / 0
P28221 5-hydroxytryptamine receptor 1D Serotonin receptor C00001722 C00011206 0 / 0
P49798 Regulator of G-protein signaling 4 Unclassified protein C00001722 C00011206 2 / 0
P18089 Alpha-2B adrenergic receptor Adrenergic receptor C00001722 C00011206 0 / 0
P24557 Thromboxane-A synthase Cytochrome P450 5A1 C00001722 C00011206 1 / 1
P06239 Tyrosine-protein kinase Lck Src C00001722 C00011206 0 / 1
P25025 C-X-C chemokine receptor type 2 CXC chemokine receptor C00001722 C00011206 0 / 0
Q9UBT6 DNA polymerase kappa Enzyme C00001722 C00011206 0 / 0
B2RXH2 Lysine-specific demethylase 4E Enzyme C00001722 C00011206 0 / 0
P46063 ATP-dependent DNA helicase Q1 Enzyme C00001722 C00011206 0 / 0
Q96KQ7 Histone-lysine N-methyltransferase EHMT2 Enzyme C00001722 C00011206 0 / 0
O00255 Menin Unclassified protein C00001722 C00011206 2 / 5
Q13951 Core-binding factor subunit beta Unclassified protein C00001722 C00011206 0 / 1
Q01196 Runt-related transcription factor 1 Unclassified protein C00001722 C00011206 1 / 4

Related Diseases

Diseases related to proteins in ChEMBL interactions

OMIM (65)

OMIM preferred title UniProt
#300438 17-beta-hydroxysteroid dehydrogenase x deficiency Q99714
#100100 Abdominal muscles, absence of, with urinary tract abnormality and cryptorchidism P20309
#103780 Alcohol dependence P08172
P14416
P31645
#614373 Amyotrophic lateral sclerosis 16, juvenile; als16 Q99720
#602025 Body mass index quantitative trait locus 9; bmiq9 P41968
#300615 Brunner syndrome P21397
#115200 Cardiomyopathy, dilated, 1a; cmd1a P02545
#212112 Cardiomyopathy, dilated, with hypergonadotropic hypogonadism P02545
#605588 Charcot-marie-tooth disease, axonal, type 2b1; cmt2b1 P02545
#162800 Cyclic neutropenia P08246
#612522 Diabetes mellitus, insulin-dependent, 22; iddm22 P51681
#119900 Digital clubbing, isolated congenital P15428
#609535 Drug metabolism, poor, cyp2c19-related P33261
#608902 Drug metabolism, poor, cyp2d6-related P10635
#181350 Emery-dreifuss muscular dystrophy 2, autosomal dominant; edmd2 P02545
#615363 Estrogen resistance; estrr P03372
#600274 Frontotemporal dementia; ftd P10636
#613659 Gastric cancer P04626
#137215 Gastric cancer, hereditary diffuse; hdgc P04626
#231095 Ghosal hematodiaphyseal dysplasia; ghdd P24557
#137800 Glioma susceptibility 1; glm1 P04626
#605130 Hairy elbows, short stature, facial dysmorphism, and developmental delay Q03164
#610140 Heart-hand syndrome, slovenian type P02545
#609423 Human immunodeficiency virus type 1, susceptibility to P41597
P51681
#176670 Hutchinson-gilford progeria syndrome; hgps P02545
#145000 Hyperparathyroidism 1; hrpt1 O00255
#259100 Hypertrophic osteoarthropathy, primary, autosomal recessive, 1; phoar1 P15428
#612244 Inflammatory bowel disease 13; ibd13 P08183
#603932 Intervertebral disc disease; idd P14780
#151660 Lipodystrophy, familial partial, type 2; fpld2 P02545
#613688 Long qt syndrome 2; lqt2 Q12809
#211980 Lung cancer P00533
P04626
#608516 Major depressive disorder; mdd P08172
#248370 Mandibuloacral dysplasia with type a lipodystrophy; mada P02545
#300705 Mental retardation, x-linked 17; mrx17 Q99714
%300852 Mental retardation, x-linked 88; mrx88 P50052
#300220 Mental retardation, x-linked, syndromic 10; mrxs10 Q99714
#613073 Metaphyseal anadysplasia 2; mandp2 P14780
#131100 Multiple endocrine neoplasia, type i; men1 O00255
#126200 Multiple sclerosis, susceptibility to; ms P08575
#613205 Muscular dystrophy, congenital, lmna-related P02545
#159001 Muscular dystrophy, limb-girdle, type 1b; lgmd1b P02545
#607948 Mycobacterium tuberculosis, susceptibility to P11473
#159900 Myoclonic dystonia P14416
#202700 Neutropenia, severe congenital, 1, autosomal dominant; scn1 P08246
#601665 Obesity P32245
#164230 Obsessive-compulsive disorder; ocd P31645
#604715 Orthostatic intolerance P23975
#259730 Osteopetrosis, autosomal recessive 3; optb3 P00918
#167000 Ovarian cancer P04626
#260540 Parkinson-dementia syndrome P10636
#613135 Parkinsonism-dystonia, infantile; pkdys Q01959
#172700 Pick disease of brain P10636
#601399 Platelet disorder, familial, with associated myeloid malignancy Q01196
#607276 Resting heart rate, variation in P08588
#275210 Restrictive dermopathy, lethal P02545
#604906 Schizophrenia 9; sczd9 P49798
#181500 Schizophrenia; sczd P49798
#608971 Severe combined immunodeficiency, autosomal recessive, t cell-negative, b cell-positive, nk cell-positive P08575
#609620 Short qt syndrome 1; sqt1 Q12809
#601104 Supranuclear palsy, progressive, 1; psnp1 P10636
#190300 Tremor, hereditary essential, 1; etm1 P35462
#277440 Vitamin d-dependent rickets, type 2a; vddr2a P11473
#610379 West nile virus, susceptibility to P51681
#112100 Yt blood group antigen P22303

KEGG DISEASE (61)

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)
H00016 Oral cancer P00533 (related)
P00533 (marker)
H00017 Esophageal cancer P00533 (related)
P35354 (related)
H00018 Gastric cancer P00533 (related)
P04626 (related)
H00022 Bladder cancer P00533 (related)
P04626 (related)
H00028 Choriocarcinoma P00533 (related)
P03956 (related)
P04626 (related)
H00030 Cervical cancer P00533 (related)
P04626 (related)
H00042 Glioma P00533 (related)
P00533 (marker)
H00055 Laryngeal cancer P00533 (related)
P00533 (marker)
H00241 Combined proximal and distal renal tubular acidosis (RTA type 3) P00918 (related)
H00436 Osteopetrosis P00918 (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)
H00026 Endometrial Cancer P03372 (marker)
P04626 (related)
Q92731 (marker)
H00599 46,XX disorders of sex development (Disorders related to androgen excess) P04150 (related)
H00019 Pancreatic cancer P04626 (related)
H00027 Ovarian cancer P04626 (related)
H00031 Breast cancer P04626 (related)
P04626 (marker)
H00046 Cholangiocarcinoma P04626 (related)
P35354 (related)
H00093 Combined immunodeficiencies (CIDs) P06239 (related)
H00079 Asthma P07550 (related)
H00100 Neutropenic disorders P08246 (related)
H00091 T-B+Severe combined immunodeficiencies (SCIDs) P08575 (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)
H00342 Tuberculosis P11473 (related)
H00784 Localized autosomal recessive hypotrichosis P11473 (related)
H01143 Vitamin D-dependent rickets P11473 (related)
H01205 Coumarin resistance P11712 (related)
H00025 Penile cancer P14780 (related)
P35354 (related)
H00479 Metaphyseal dysplasias P14780 (related)
H00457 Primary hypertrophic osteoarthropathy (PHO) P15428 (related)
H01246 Isolated congenital nail clubbing (ICNC) P15428 (related)
H00548 Brunner syndrome P21397 (related)
H01031 Orthostatic intolerance (OI) P23975 (related)
H00490 Diaphyseal dysplasia with anemia (Ghosal) P24557 (related)
H01171 Poor drug metabolism (PM) P33261 (related)
H00480 Non-syndromic X-linked mental retardation P50052 (related)
Q99714 (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)
H00720 Long QT syndrome Q12809 (related)
H00725 Short QT syndrome Q12809 (related)
H00658 Syndromic X-linked mental retardation Q99714 (related)
H00925 2-Methyl-3-hydroxybutyryl-CoA dehydrogenase (MHBD) deficiency Q99714 (related)

Diseases related to CTD interactions

6 disease in interactions with metabolites

MESH or OMIM name KNApSAcK
metabolite
D001927 Brain Diseases C00001718
D002375 Catalepsy C00001722
D002637 Chest Pain C00001722
D003251 Constriction, Pathologic C00001722
D003329 Coronary Vasospasm C00001722
D009203 Myocardial Infarction C00001722