PCIDB

KCF-S cluster No. 1575 (6 metabolites)

Corresponding Phytochemical cluster No. 34

Metabolite list (6)

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
C00000845 External link 512 Geraniol
CHEMBL25719
CHEMBL452683
96 / 41 / 41
C00000855 External link 512 Nerol
/ cis-Geraniol
CHEMBL25719
CHEMBL452683
96 / 41 / 41
C00003035 External link 512 Geranial
/ (E)-alpha-Citral
CHEMBL1080997
6 / 7 / 9
C00003036 External link 512 Neral
/ Citral Z
CHEMBL1080997
6 / 7 / 9
C00010343 External link 512 alpha-(Z)-Acaridiol
/ 2-(4-Methyl-3-pentenyl)-2-butene-1,4-diol
C00035822 External link 512 Citral (E/Z)
CHEMBL1080997
C007076
6 / 7 / 9 7 / 1

Human Protein / Gene in interactions

102 ChEMBL Protein in interactions

accession description class description KNApSAcK metabolite in interactions # of diseases
(OMIM / KEGG)
Q01196 Runt-related transcription factor 1 Unclassified protein C00003035 C00003036 C00035822 1 / 4
Q13951 Core-binding factor subunit beta Unclassified protein C00003035 C00003036 C00035822 0 / 1
P10275 Androgen receptor NR3C4 C00003035 C00003036 C00035822 3 / 4
O00519 Fatty-acid amide hydrolase 1 Enzyme C00003035 C00003036 C00035822 0 / 0
P00352 Retinal dehydrogenase 1 Enzyme C00003035 C00003036 C00035822 0 / 0
P10828 Thyroid hormone receptor beta NR1A2 C00003035 C00003036 C00035822 3 / 1
P03372 Estrogen receptor NR3A1 C00000845 C00000855 1 / 1
P49146 Neuropeptide Y receptor type 2 Neuropeptide Y receptor C00000845 C00000855 0 / 0
P29466 Caspase-1 C14 C00000845 C00000855 0 / 0
P17252 Protein kinase C alpha type Alpha C00000845 C00000855 0 / 0
P27361 Mitogen-activated protein kinase 3 Erk C00000845 C00000855 0 / 0
Q03181 Peroxisome proliferator-activated receptor delta NR1C2 C00000845 C00000855 0 / 0
P14780 Matrix metalloproteinase-9 M10A C00000845 C00000855 2 / 2
P33765 Adenosine receptor A3 Adenosine receptor C00000845 C00000855 0 / 0
P00918 Carbonic anhydrase 2 Lyase C00000845 C00000855 1 / 2
P07550 Beta-2 adrenergic receptor Adrenergic receptor C00000845 C00000855 0 / 1
P21397 Amine oxidase [flavin-containing] A Oxidoreductase C00000845 C00000855 1 / 1
P25021 Histamine H2 receptor Histamine receptor C00000845 C00000855 0 / 0
P35367 Histamine H1 receptor Histamine receptor C00000845 C00000855 0 / 0
Q01959 Sodium-dependent dopamine transporter Dopamine C00000845 C00000855 1 / 0
P08912 Muscarinic acetylcholine receptor M5 Acetylcholine receptor C00000845 C00000855 0 / 0
P18825 Alpha-2C adrenergic receptor Adrenergic receptor C00000845 C00000855 0 / 0
P13945 Beta-3 adrenergic receptor Adrenergic receptor C00000845 C00000855 0 / 0
P25024 C-X-C chemokine receptor type 1 CXC chemokine receptor C00000845 C00000855 0 / 0
P06241 Tyrosine-protein kinase Fyn Src C00000845 C00000855 0 / 0
Q08209 Serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform Ser_Thr C00000845 C00000855 0 / 0
P11712 Cytochrome P450 2C9 Cytochrome P450 2C9 C00000845 C00000855 0 / 1
P00533 Epidermal growth factor receptor TK tyrosine-protein kinase EGFR subfamily C00000845 C00000855 1 / 8
P11473 Vitamin D3 receptor NR1I1 C00000845 C00000855 2 / 3
P14416 D(2) dopamine receptor Dopamine receptor C00000845 C00000855 2 / 0
P23219 Prostaglandin G/H synthase 1 Oxidoreductase C00000845 C00000855 0 / 0
P37288 Vasopressin V1a receptor Vasopressin and oxytocin receptor C00000845 C00000855 0 / 0
P41145 Kappa-type opioid receptor Opioid receptor C00000845 C00000855 0 / 0
Q9Y271 Cysteinyl leukotriene receptor 1 Leukotriene receptor C00000845 C00000855 0 / 0
P29274 Adenosine receptor A2a Adenosine receptor C00000845 C00000855 0 / 0
P25929 Neuropeptide Y receptor type 1 Neuropeptide Y receptor C00000845 C00000855 0 / 0
P50052 Type-2 angiotensin II receptor Angiotensin receptor C00000845 C00000855 1 / 1
P17948 Vascular endothelial growth factor receptor 1 Vegfr C00000845 C00000855 0 / 0
P41968 Melanocortin receptor 3 Melanocortin receptor C00000845 C00000855 1 / 0
P08246 Neutrophil elastase S1A C00000845 C00000855 2 / 1
P11509 Cytochrome P450 2A6 Cytochrome P450 2A6 C00000845 C00000855 0 / 0
P04035 3-hydroxy-3-methylglutaryl-coenzyme A reductase Oxidoreductase C00000845 C00000855 0 / 0
P08913 Alpha-2A adrenergic receptor Adrenergic receptor C00000845 C00000855 0 / 0
P21917 D(4) dopamine receptor Dopamine receptor C00000845 C00000855 0 / 0
P30988 Calcitonin receptor Calcitonin receptor C00000845 C00000855 0 / 0
P35462 D(3) dopamine receptor Dopamine receptor C00000845 C00000855 1 / 0
P41143 Delta-type opioid receptor Opioid receptor C00000845 C00000855 0 / 0
Q92731 Estrogen receptor beta NR3A2 C00000845 C00000855 0 / 1
P41595 5-hydroxytryptamine receptor 2B Serotonin receptor C00000845 C00000855 0 / 0
P25101 Endothelin-1 receptor Endothelin receptor C00000845 C00000855 0 / 0
P30411 B2 bradykinin receptor Bradykinin receptor C00000845 C00000855 0 / 0
P32245 Melanocortin receptor 4 Melanocortin receptor C00000845 C00000855 1 / 0
P32238 Cholecystokinin receptor type A Cholecystokinin receptor C00000845 C00000855 0 / 0
P08311 Cathepsin G S1A C00000845 C00000855 0 / 0
Q99720 Sigma non-opioid intracellular receptor 1 Membrane receptor C00000845 C00000855 1 / 0
Q12809 Potassium voltage-gated channel subfamily H member 2 KCNH, Kv10-12.x (Ether-a-go-go) C00000845 C00000855 2 / 2
P03956 Interstitial collagenase M10A C00000845 C00000855 0 / 1
P32241 Vasoactive intestinal polypeptide receptor 1 Vasoactive intestinal peptide receptor C00000845 C00000855 0 / 0
P04150 Glucocorticoid receptor NR3C1 C00000845 C00000855 0 / 1
P08172 Muscarinic acetylcholine receptor M2 Acetylcholine receptor C00000845 C00000855 2 / 0
P11229 Muscarinic acetylcholine receptor M1 Acetylcholine receptor C00000845 C00000855 0 / 0
P21554 Cannabinoid receptor 1 Cannabinoid receptor C00000845 C00000855 0 / 0
P31645 Sodium-dependent serotonin transporter Serotonin C00000845 C00000855 2 / 0
P04626 Receptor tyrosine-protein kinase erbB-2 TK tyrosine-protein kinase EGFR subfamily C00000845 C00000855 5 / 9
P20309 Muscarinic acetylcholine receptor M3 Acetylcholine receptor C00000845 C00000855 1 / 0
P21452 Substance-K receptor Neurokinin receptor C00000845 C00000855 0 / 0
P51679 C-C chemokine receptor type 4 CC chemokine receptor C00000845 C00000855 0 / 0
P51681 C-C chemokine receptor type 5 CC chemokine receptor C00000845 C00000855 3 / 0
P50406 5-hydroxytryptamine receptor 6 Serotonin receptor C00000845 C00000855 0 / 0
Q96RI1 Bile acid receptor NR1H4 C00000845 C00000855 0 / 0
P41597 C-C chemokine receptor type 2 CC chemokine receptor C00000845 C00000855 1 / 0
P28482 Mitogen-activated protein kinase 1 Erk C00000845 C00000855 0 / 0
P08575 Receptor-type tyrosine-protein phosphatase C Enzyme C00000845 C00000855 2 / 1
P05177 Cytochrome P450 1A2 Cytochrome P450 1A2 C00000845 C00000855 0 / 0
Q9Y4X1 UDP-glucuronosyltransferase 2A1 Enzyme C00000845 C00000855 0 / 0
O76074 cGMP-specific 3',5'-cyclic phosphodiesterase PDE_5A C00000845 C00000855 0 / 0
Q16539 Mitogen-activated protein kinase 14 p38 C00000845 C00000855 0 / 0
P08588 Beta-1 adrenergic receptor Adrenergic receptor C00000845 C00000855 1 / 0
P22303 Acetylcholinesterase Hydrolase C00000845 C00000855 1 / 0
P28223 5-hydroxytryptamine receptor 2A Serotonin receptor C00000845 C00000855 0 / 0
P28335 5-hydroxytryptamine receptor 2C Serotonin receptor C00000845 C00000855 0 / 0
P35372 Mu-type opioid receptor Opioid receptor C00000845 C00000855 0 / 0
P08173 Muscarinic acetylcholine receptor M4 Acetylcholine receptor C00000845 C00000855 0 / 0
P25103 Substance-P receptor Neurokinin receptor C00000845 C00000855 0 / 0
P25105 Platelet-activating factor receptor PAF receptor C00000845 C00000855 0 / 0
P33032 Melanocortin receptor 5 Melanocortin receptor C00000845 C00000855 0 / 0
P16050 Arachidonate 15-lipoxygenase Enzyme C00000845 C00000855 0 / 0
P33261 Cytochrome P450 2C19 Cytochrome P450 2C19 C00000845 C00000855 1 / 1
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 C00000845 C00000855 0 / 1
P05181 Cytochrome P450 2E1 Cytochrome P450 2E1 C00000845 C00000855 0 / 0
P35354 Prostaglandin G/H synthase 2 Oxidoreductase C00000845 C00000855 0 / 3
P23975 Sodium-dependent noradrenaline transporter Norepinephrine C00000845 C00000855 1 / 1
P25100 Alpha-1D adrenergic receptor Adrenergic receptor C00000845 C00000855 0 / 0
P30542 Adenosine receptor A1 Adenosine receptor C00000845 C00000855 0 / 0
P18089 Alpha-2B adrenergic receptor Adrenergic receptor C00000845 C00000855 0 / 0
P24557 Thromboxane-A synthase Cytochrome P450 5A1 C00000845 C00000855 1 / 1
P06239 Tyrosine-protein kinase Lck Src C00000845 C00000855 0 / 1
P25025 C-X-C chemokine receptor type 2 CXC chemokine receptor C00000845 C00000855 0 / 0
O00255 Menin Unclassified protein C00000845 C00000855 2 / 5
Q03164 Histone-lysine N-methyltransferase 2A Enzyme C00000845 C00000855 1 / 2
P21728 D(1A) dopamine receptor Dopamine receptor C00000845 C00000855 0 / 0
P10635 Cytochrome P450 2D6 Cytochrome P450 2D6 C00000845 C00000855 1 / 0

7 Gene in CTD interactions

gene gene name gene description KNApSAcK metabolite in interactions
1646 AKR1C2, AKR1C-pseudo, BABP, DD, DD2, DDH2, HAKRD, HBAB, MCDR2, SRXY8 aldo-keto reductase family 1, member C2 (EC:1.3.1.20 1.1.1.357) C00035822
1555 CYP2B6, CPB6, CYP2B, CYP2B7, CYP2B7P, CYPIIB6, EFVM, IIB1, P450 cytochrome P450, family 2, subfamily B, polypeptide 6 (EC:1.14.14.1) C00035822
2099 ESR1, ER, ESR, ESRA, ESTRR, Era, NR3A1 estrogen receptor 1 C00035822
2100 ESR2, ER-BETA, ESR-BETA, ESRB, ESTRB, Erb, NR3A2 estrogen receptor 2 (ER beta) C00035822
3162 HMOX1, HMOX1D, HO-1, HSP32, bK286B10 heme oxygenase (decycling) 1 (EC:1.14.99.3) C00035822
3576 IL8, CXCL8, GCP-1, GCP1, LECT, LUCT, LYNAP, MDNCF, MONAP, NAF, NAP-1, NAP1 interleukin 8 C00035822
23764 MAFF, U-MAF, hMafF v-maf avian musculoaponeurotic fibrosarcoma oncogene homolog F C00035822

Related Diseases

Diseases related to proteins in ChEMBL interactions

OMIM (48)

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
#300068 Androgen insensitivity syndrome; ais P10275
#312300 Androgen insensitivity, partial; pais P10275
#602025 Body mass index quantitative trait locus 9; bmiq9 P41968
#300615 Brunner syndrome P21397
#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
#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
#605130 Hairy elbows, short stature, facial dysmorphism, and developmental delay Q03164
#609423 Human immunodeficiency virus type 1, susceptibility to P41597
P51681
#145000 Hyperparathyroidism 1; hrpt1 O00255
#603932 Intervertebral disc disease; idd P14780
#613688 Long qt syndrome 2; lqt2 Q12809
#211980 Lung cancer P00533
P04626
#608516 Major depressive disorder; mdd P08172
%300852 Mental retardation, x-linked 88; mrx88 P50052
#613073 Metaphyseal anadysplasia 2; mandp2 P14780
#131100 Multiple endocrine neoplasia, type i; men1 O00255
#126200 Multiple sclerosis, susceptibility to; ms P08575
#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
#613135 Parkinsonism-dystonia, infantile; pkdys Q01959
#601399 Platelet disorder, familial, with associated myeloid malignancy Q01196
#607276 Resting heart rate, variation in P08588
#608971 Severe combined immunodeficiency, autosomal recessive, t cell-negative, b cell-positive, nk cell-positive P08575
#609620 Short qt syndrome 1; sqt1 Q12809
#313200 Spinal and bulbar muscular atrophy, x-linked 1; smax1 P10275
#188570 Thyroid hormone resistance, generalized, autosomal dominant; grth P10828
#274300 Thyroid hormone resistance, generalized, autosomal recessive; grth P10828
#145650 Thyroid hormone resistance, selective pituitary; prth P10828
#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 (49)

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)
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)
H00024 Prostate cancer P10275 (related)
H00062 Spinal and bulbar muscular atrophy (SBMA) P10275 (related)
H00608 46,XY disorders of sex development (Disorders in androgen synthesis or action) P10275 (related)
H00609 46,XY disorders of sex development (Other) P10275 (related)
H00249 Thyroid hormone resistance syndrome P10828 (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)
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)
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)

Diseases related to CTD interactions

1 disease in interactions with metabolites

MESH or OMIM name KNApSAcK
metabolite
D017449 Dermatitis, Allergic Contact C00035822