KCF-S cluster No. 138 (38 metabolites)

Corresponding Phytochemical cluster No. 10



Metabolite list (38)

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
C00001610 External link 512 Aconifine
CHEMBL2062833
C00001611 External link 512 Aconitine
CHEMBL1320549
CHEMBL1434120
CHEMBL1597605
CHEMBL1719550
CHEMBL1979562
CHEMBL2103747
D000157
91 / 49 / 41 9 / 6
C00001619 External link 512 Beiwutine
C00001620 External link 512 Bikhaconitine
C00001633 External link 512 Delphinine
CHEMBL1995442
C00001639 External link 512 Falaconitine
CHEMBL1991005
C00001644 External link 512 Hypaconitine
CHEMBL400315
CHEMBL2062951
C058309
7 / 0
C00001647 External link 512 Indaconitine
C00001648 External link 512 Jesaconitine
C069418
C00001654 External link 512 Mesaconitine
CHEMBL400315
CHEMBL2062951
C019470
C00001660 External link 512 Pseudaconitine
CHEMBL509646
C00027683 External link 512 14-Benzoylaconine
CHEMBL2062825
C047307
C00027689 External link 512 14-O-benzoylperegrine
C00027706 External link 512 1-Epicrassicaudine
C00027743 External link 512 3-Deoxyaconitine
CHEMBL400316
CHEMBL2062827
C057219
C00028037 External link 512 Chasmaconitine
C00028166 External link 512 Deoxyaconitine
/ 3-Deoxyaconitine
CHEMBL400316
CHEMBL2062827
C057219
C00028276 External link 512 Foresaconitine
/ Vilmorrianine C
C00028427 External link 512 Karaconitine
C00028494 External link 512 Ludaconitine
C00028576 External link 512 Mesaconitine
CHEMBL1877791
C019470
1 / 0 / 0
C00029255 External link 512 Yunaconitine
C069835
C00029407 External link 512 16-epi-Pyromesaconitine
C00030727 External link 512 Manshuritine
CHEMBL2062824
C00031504 External link 512 14-O-Cinnamoylneoline
C00031692 External link 512 Crassicauline A
C00038407 External link 512 Aljesaconitine A
CHEMBL249661
C00038990 External link 512 Deoxyjesaconitine
CHEMBL247593
C00039377 External link 512 Hokbusine A
CHEMBL439232
C00041040 External link 512 Liaconitine A
/ (+)-Liaconitine A
C00041041 External link 512 Liaconitine B
/ (-)-Liaconitine B
C00041042 External link 512 Liaconitine C
/ (+)-Liaconitine C
C00044867 External link 512 Leueantine A
/ (+)-Leueantine A
C00044868 External link 512 Leueantine B
/ (+)-Leueantine B
C00044869 External link 512 Leueantine C
/ (+)-Leueantine C
C00044870 External link 512 Leueantine D
/ (+)-Leueantine D
C00046582 External link 512 3'-Methoxyacoforestinine
CHEMBL501580
C00046740 External link 512 Faleoconitine
CHEMBL510978

Human Protein / Gene in interactions

92 ChEMBL Protein in interactions

accession description class description KNApSAcK metabolite in interactions # of diseases
(OMIM / KEGG)
P10635 Cytochrome P450 2D6 Cytochrome P450 2D6 C00001611 1 / 0
P49798 Regulator of G-protein signaling 4 Unclassified protein C00001611 2 / 0
P21728 D(1A) dopamine receptor Dopamine receptor C00001611 0 / 0
P35354 Prostaglandin G/H synthase 2 Oxidoreductase C00001611 0 / 3
Q12809 Potassium voltage-gated channel subfamily H member 2 KCNH, Kv10-12.x (Ether-a-go-go) C00001611 2 / 2
P08246 Neutrophil elastase S1A C00001611 2 / 1
P33765 Adenosine receptor A3 Adenosine receptor C00001611 0 / 0
Q16539 Mitogen-activated protein kinase 14 p38 C00001611 0 / 0
P49146 Neuropeptide Y receptor type 2 Neuropeptide Y receptor C00001611 0 / 0
P29466 Caspase-1 C14 C00001611 0 / 0
P17252 Protein kinase C alpha type Alpha C00001611 0 / 0
P27361 Mitogen-activated protein kinase 3 Erk C00001611 0 / 0
P14780 Matrix metalloproteinase-9 M10A C00001611 2 / 2
P02545 Prelamin-A/C Unclassified protein C00001611 11 / 10
P00918 Carbonic anhydrase 2 Lyase C00001611 1 / 2
P07550 Beta-2 adrenergic receptor Adrenergic receptor C00001611 0 / 1
P21397 Amine oxidase [flavin-containing] A Oxidoreductase C00001611 1 / 1
P25021 Histamine H2 receptor Histamine receptor C00001611 0 / 0
P35367 Histamine H1 receptor Histamine receptor C00001611 0 / 0
Q01959 Sodium-dependent dopamine transporter Dopamine C00001611 1 / 0
P08912 Muscarinic acetylcholine receptor M5 Acetylcholine receptor C00001611 0 / 0
P18825 Alpha-2C adrenergic receptor Adrenergic receptor C00001611 0 / 0
P13945 Beta-3 adrenergic receptor Adrenergic receptor C00001611 0 / 0
P25024 C-X-C chemokine receptor type 1 CXC chemokine receptor C00001611 0 / 0
P06241 Tyrosine-protein kinase Fyn Src C00001611 0 / 0
Q08209 Serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform Ser_Thr C00001611 0 / 0
P11712 Cytochrome P450 2C9 Cytochrome P450 2C9 C00001611 0 / 1
P00533 Epidermal growth factor receptor TK tyrosine-protein kinase EGFR subfamily C00001611 1 / 8
P14416 D(2) dopamine receptor Dopamine receptor C00001611 2 / 0
P23219 Prostaglandin G/H synthase 1 Oxidoreductase C00001611 0 / 0
P37288 Vasopressin V1a receptor Vasopressin and oxytocin receptor C00001611 0 / 0
P41145 Kappa-type opioid receptor Opioid receptor C00001611 0 / 0
Q9Y271 Cysteinyl leukotriene receptor 1 Leukotriene receptor C00001611 0 / 0
P29274 Adenosine receptor A2a Adenosine receptor C00001611 0 / 0
P25929 Neuropeptide Y receptor type 1 Neuropeptide Y receptor C00001611 0 / 0
P50052 Type-2 angiotensin II receptor Angiotensin receptor C00001611 1 / 1
P17948 Vascular endothelial growth factor receptor 1 Vegfr C00001611 0 / 0
P41968 Melanocortin receptor 3 Melanocortin receptor C00001611 1 / 0
P11509 Cytochrome P450 2A6 Cytochrome P450 2A6 C00001611 0 / 0
P04035 3-hydroxy-3-methylglutaryl-coenzyme A reductase Oxidoreductase C00001611 0 / 0
P08913 Alpha-2A adrenergic receptor Adrenergic receptor C00001611 0 / 0
P21917 D(4) dopamine receptor Dopamine receptor C00001611 0 / 0
P30988 Calcitonin receptor Calcitonin receptor C00001611 0 / 0
P35462 D(3) dopamine receptor Dopamine receptor C00001611 1 / 0
P41143 Delta-type opioid receptor Opioid receptor C00001611 0 / 0
Q92731 Estrogen receptor beta NR3A2 C00001611 0 / 1
P41595 5-hydroxytryptamine receptor 2B Serotonin receptor C00001611 0 / 0
P25101 Endothelin-1 receptor Endothelin receptor C00001611 0 / 0
P30411 B2 bradykinin receptor Bradykinin receptor C00001611 0 / 0
P32245 Melanocortin receptor 4 Melanocortin receptor C00001611 1 / 0
P32238 Cholecystokinin receptor type A Cholecystokinin receptor C00001611 0 / 0
P08311 Cathepsin G S1A C00001611 0 / 0
Q99720 Sigma non-opioid intracellular receptor 1 Membrane receptor C00001611 1 / 0
P03956 Interstitial collagenase M10A C00001611 0 / 1
P32241 Vasoactive intestinal polypeptide receptor 1 Vasoactive intestinal peptide receptor C00001611 0 / 0
P04150 Glucocorticoid receptor NR3C1 C00001611 0 / 1
P08172 Muscarinic acetylcholine receptor M2 Acetylcholine receptor C00001611 2 / 0
P11229 Muscarinic acetylcholine receptor M1 Acetylcholine receptor C00001611 0 / 0
P21554 Cannabinoid receptor 1 Cannabinoid receptor C00001611 0 / 0
P31645 Sodium-dependent serotonin transporter Serotonin C00001611 2 / 0
P04626 Receptor tyrosine-protein kinase erbB-2 TK tyrosine-protein kinase EGFR subfamily C00001611 5 / 9
P20309 Muscarinic acetylcholine receptor M3 Acetylcholine receptor C00001611 1 / 0
P21452 Substance-K receptor Neurokinin receptor C00001611 0 / 0
P51679 C-C chemokine receptor type 4 CC chemokine receptor C00001611 0 / 0
P51681 C-C chemokine receptor type 5 CC chemokine receptor C00001611 3 / 0
P50406 5-hydroxytryptamine receptor 6 Serotonin receptor C00001611 0 / 0
P41597 C-C chemokine receptor type 2 CC chemokine receptor C00001611 1 / 0
P28482 Mitogen-activated protein kinase 1 Erk C00001611 0 / 0
P08575 Receptor-type tyrosine-protein phosphatase C Enzyme C00001611 2 / 1
P05177 Cytochrome P450 1A2 Cytochrome P450 1A2 C00001611 0 / 0
O76074 cGMP-specific 3',5'-cyclic phosphodiesterase PDE_5A C00001611 0 / 0
P03372 Estrogen receptor NR3A1 C00001611 1 / 1
P08588 Beta-1 adrenergic receptor Adrenergic receptor C00001611 1 / 0
P22303 Acetylcholinesterase Hydrolase C00001611 1 / 0
P28223 5-hydroxytryptamine receptor 2A Serotonin receptor C00001611 0 / 0
P28335 5-hydroxytryptamine receptor 2C Serotonin receptor C00001611 0 / 0
P35372 Mu-type opioid receptor Opioid receptor C00001611 0 / 0
P08173 Muscarinic acetylcholine receptor M4 Acetylcholine receptor C00001611 0 / 0
P25103 Substance-P receptor Neurokinin receptor C00001611 0 / 0
P25105 Platelet-activating factor receptor PAF receptor C00001611 0 / 0
P33032 Melanocortin receptor 5 Melanocortin receptor C00001611 0 / 0
P33261 Cytochrome P450 2C19 Cytochrome P450 2C19 C00001611 1 / 1
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 C00001611 0 / 1
P05181 Cytochrome P450 2E1 Cytochrome P450 2E1 C00001611 0 / 0
Q9UNA4 DNA polymerase iota Enzyme C00028576 0 / 0
P23975 Sodium-dependent noradrenaline transporter Norepinephrine C00001611 1 / 1
P25100 Alpha-1D adrenergic receptor Adrenergic receptor C00001611 0 / 0
P30542 Adenosine receptor A1 Adenosine receptor C00001611 0 / 0
P18089 Alpha-2B adrenergic receptor Adrenergic receptor C00001611 0 / 0
P24557 Thromboxane-A synthase Cytochrome P450 5A1 C00001611 1 / 1
P06239 Tyrosine-protein kinase Lck Src C00001611 0 / 1
P25025 C-X-C chemokine receptor type 2 CXC chemokine receptor C00001611 0 / 0

10 Gene in CTD interactions

gene gene name gene description KNApSAcK metabolite in interactions
1544 CYP1A2, CP12, P3-450, P450(PA) cytochrome P450, family 1, subfamily A, polypeptide 2 (EC:1.14.14.1) C00001611 C00001644
1557 CYP2C19, CPCJ, CYP2C, P450C2C, P450IIC19 cytochrome P450, family 2, subfamily C, polypeptide 19 (EC:1.14.13.48 1.14.13.49 1.14.13.80) C00001611 C00001644
1558 CYP2C8, CPC8, CYPIIC8, MP-12/MP-20 cytochrome P450, family 2, subfamily C, polypeptide 8 (EC:1.14.14.1) C00001611 C00001644
1565 CYP2D6, CPD6, CYP2D, CYP2D7AP, CYP2D7BP, CYP2D7P2, CYP2D8P2, CYP2DL1, CYPIID6, P450-DB1, P450C2D, P450DB1 cytochrome P450, family 2, subfamily D, polypeptide 6 (EC:1.14.14.1) C00001611 C00001644
1577 CYP3A5, CP35, CYPIIIA5, P450PCN3, PCN3 cytochrome P450, family 3, subfamily A, polypeptide 5 (EC:1.14.14.1) C00001611 C00001644
1576 CYP3A4, CP33, CP34, CYP3A, CYP3A3, CYPIIIA3, CYPIIIA4, HLP, NF-25, P450C3, P450PCN1 cytochrome P450, family 3, subfamily A, polypeptide 4 (EC:1.14.13.67 1.14.13.97 1.14.13.32 1.14.13.157) C00001611 C00001644
1571 CYP2E1, CPE1, CYP2E, P450-J, P450C2E cytochrome P450, family 2, subfamily E, polypeptide 1 (EC:1.14.13.n7) C00001644
1559 CYP2C9, CPC9, CYP2C, CYP2C10, CYPIIC9, P450IIC9 cytochrome P450, family 2, subfamily C, polypeptide 9 (EC:1.14.13.48 1.14.13.49 1.14.13.80) C00001611
5894 RAF1, CRAF, NS5, Raf-1, c-Raf v-raf-1 murine leukemia viral oncogene homolog 1 (EC:2.7.11.1) C00001611
5925 RB1, OSRC, RB, p105-Rb, pRb, pp110 retinoblastoma 1 C00001611

Related Diseases

Diseases related to proteins in ChEMBL interactions

OMIM (49)

OMIM preferred title UniProt
#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
#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
#613659 Gastric cancer P04626
#137215 Gastric cancer, hereditary diffuse; hdgc P04626
#231095 Ghosal hematodiaphyseal dysplasia; ghdd P24557
#137800 Glioma susceptibility 1; glm1 P04626
#610140 Heart-hand syndrome, slovenian type P02545
#609423 Human immunodeficiency virus type 1, susceptibility to P41597
P51681
#176670 Hutchinson-gilford progeria syndrome; hgps P02545
#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
%300852 Mental retardation, x-linked 88; mrx88 P50052
#613073 Metaphyseal anadysplasia 2; mandp2 P14780
#126200 Multiple sclerosis, susceptibility to; ms P08575
#613205 Muscular dystrophy, congenital, lmna-related P02545
#159001 Muscular dystrophy, limb-girdle, type 1b; lgmd1b P02545
#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
#613135 Parkinsonism-dystonia, infantile; pkdys Q01959
#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
#190300 Tremor, hereditary essential, 1; etm1 P35462
#610379 West nile virus, susceptibility to P51681
#112100 Yt blood group antigen P22303

KEGG DISEASE (41)

KEGG name UniProt
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)
H01205 Coumarin resistance P11712 (related)
H00025 Penile cancer P14780 (related)
P35354 (related)
H00479 Metaphyseal dysplasias P14780 (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)
H00720 Long QT syndrome Q12809 (related)
H00725 Short QT syndrome Q12809 (related)

Diseases related to CTD interactions

6 disease in interactions with metabolites

MESH or OMIM name KNApSAcK
metabolite
D001145 Arrhythmias, Cardiac C00001611
D001281 Atrial Fibrillation C00001611
D001282 Atrial Flutter C00001611
D009361 Neoplasm Invasiveness C00001611
D016171 Torsades de Pointes C00001611
D014693 Ventricular Fibrillation C00001611