KCF-S cluster No. 3773 (3 metabolites)
Plant Species
Cumulative plant class count
| class name | count |
|---|---|
| Magnoliophyta | 11 |
| asterids | 3 |
| rosids | 1 |
| Spermatophyta | 1 |
Cumulative family count
| class name | count |
|---|---|
| Lauraceae | 4 |
| Piperaceae | 2 |
| Cupressaceae | 1 |
| Apiaceae | 1 |
| Scrophulariaceae | 1 |
| Schisandraceae | 1 |
| Rutaceae | 1 |
| Magnoliaceae | 1 |
| Myristicaceae | 1 |
| Atherospermataceae | 1 |
| Lamiaceae | 1 |
| Annonaceae | 1 |
KEGG BRITE br08003
Categories (0)
| br08003 Category | # of metabolite |
|---|
metabolites link (0)
| br08003 Category | KEGG ID | KNApSAcK ID |
|---|
Metabolite list (3)
| 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 |
|---|---|---|---|---|---|---|
|
C00002753
|
Isosafrole
|
CHEMBL487603
|
C015959
|
10 / 6 / 10 | 2 / 0 |
|
|
C00002771
|
Safrole
|
CHEMBL242273
|
D012451
|
91 / 40 / 34 | 13 / 5 |
|
|
C00034385
|
3,4-Methylenedioxycinnamaldehyde
|
|
Human Protein / Gene in interactions
99 ChEMBL Protein in interactions
| accession | description | class description | KNApSAcK metabolite in interactions |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|
| P08684 | Cytochrome P450 3A4 | Cytochrome P450 3A4 | C00002753 C00002771 | 0 / 1 |
| Q16236 | Nuclear factor erythroid 2-related factor 2 | Unclassified protein | C00002753 C00002771 | 0 / 0 |
| P05177 | Cytochrome P450 1A2 | Cytochrome P450 1A2 | C00002771 | 0 / 0 |
| P35354 | Prostaglandin G/H synthase 2 | Oxidoreductase | C00002771 | 0 / 3 |
| Q12809 | Potassium voltage-gated channel subfamily H member 2 | KCNH, Kv10-12.x (Ether-a-go-go) | C00002771 | 2 / 2 |
| P08246 | Neutrophil elastase | S1A | C00002771 | 2 / 1 |
| P33765 | Adenosine receptor A3 | Adenosine receptor | C00002771 | 0 / 0 |
| Q16539 | Mitogen-activated protein kinase 14 | p38 | C00002771 | 0 / 0 |
| P49146 | Neuropeptide Y receptor type 2 | Neuropeptide Y receptor | C00002771 | 0 / 0 |
| P29466 | Caspase-1 | C14 | C00002771 | 0 / 0 |
| P17252 | Protein kinase C alpha type | Alpha | C00002771 | 0 / 0 |
| P27361 | Mitogen-activated protein kinase 3 | Erk | C00002771 | 0 / 0 |
| Q03181 | Peroxisome proliferator-activated receptor delta | NR1C2 | C00002753 | 0 / 0 |
| P14780 | Matrix metalloproteinase-9 | M10A | C00002771 | 2 / 2 |
| Q13315 | Serine-protein kinase ATM | Atypical serine/threonine protein kinase PIKK subfamily | C00002753 | 1 / 4 |
| P00918 | Carbonic anhydrase 2 | Lyase | C00002771 | 1 / 2 |
| P07550 | Beta-2 adrenergic receptor | Adrenergic receptor | C00002771 | 0 / 1 |
| P21397 | Amine oxidase [flavin-containing] A | Oxidoreductase | C00002771 | 1 / 1 |
| P25021 | Histamine H2 receptor | Histamine receptor | C00002771 | 0 / 0 |
| P35367 | Histamine H1 receptor | Histamine receptor | C00002771 | 0 / 0 |
| Q01959 | Sodium-dependent dopamine transporter | Dopamine | C00002771 | 1 / 0 |
| P08912 | Muscarinic acetylcholine receptor M5 | Acetylcholine receptor | C00002771 | 0 / 0 |
| P18825 | Alpha-2C adrenergic receptor | Adrenergic receptor | C00002771 | 0 / 0 |
| P13945 | Beta-3 adrenergic receptor | Adrenergic receptor | C00002771 | 0 / 0 |
| P08183 | Multidrug resistance protein 1 | drug | C00002753 | 1 / 0 |
| P25024 | C-X-C chemokine receptor type 1 | CXC chemokine receptor | C00002771 | 0 / 0 |
| P06241 | Tyrosine-protein kinase Fyn | Src | C00002771 | 0 / 0 |
| Q08209 | Serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform | Ser_Thr | C00002771 | 0 / 0 |
| P11712 | Cytochrome P450 2C9 | Cytochrome P450 2C9 | C00002771 | 0 / 1 |
| P00533 | Epidermal growth factor receptor | TK tyrosine-protein kinase EGFR subfamily | C00002771 | 1 / 8 |
| P14416 | D(2) dopamine receptor | Dopamine receptor | C00002771 | 2 / 0 |
| P23219 | Prostaglandin G/H synthase 1 | Oxidoreductase | C00002771 | 0 / 0 |
| P37288 | Vasopressin V1a receptor | Vasopressin and oxytocin receptor | C00002771 | 0 / 0 |
| P41145 | Kappa-type opioid receptor | Opioid receptor | C00002771 | 0 / 0 |
| Q9Y271 | Cysteinyl leukotriene receptor 1 | Leukotriene receptor | C00002771 | 0 / 0 |
| P29274 | Adenosine receptor A2a | Adenosine receptor | C00002771 | 0 / 0 |
| P25929 | Neuropeptide Y receptor type 1 | Neuropeptide Y receptor | C00002771 | 0 / 0 |
| P50052 | Type-2 angiotensin II receptor | Angiotensin receptor | C00002771 | 1 / 1 |
| P17948 | Vascular endothelial growth factor receptor 1 | Vegfr | C00002771 | 0 / 0 |
| P41968 | Melanocortin receptor 3 | Melanocortin receptor | C00002771 | 1 / 0 |
| P11509 | Cytochrome P450 2A6 | Cytochrome P450 2A6 | C00002771 | 0 / 0 |
| P04035 | 3-hydroxy-3-methylglutaryl-coenzyme A reductase | Oxidoreductase | C00002771 | 0 / 0 |
| P08913 | Alpha-2A adrenergic receptor | Adrenergic receptor | C00002771 | 0 / 0 |
| P21917 | D(4) dopamine receptor | Dopamine receptor | C00002771 | 0 / 0 |
| P30988 | Calcitonin receptor | Calcitonin receptor | C00002771 | 0 / 0 |
| P35462 | D(3) dopamine receptor | Dopamine receptor | C00002771 | 1 / 0 |
| P41143 | Delta-type opioid receptor | Opioid receptor | C00002771 | 0 / 0 |
| Q92731 | Estrogen receptor beta | NR3A2 | C00002771 | 0 / 1 |
| P41595 | 5-hydroxytryptamine receptor 2B | Serotonin receptor | C00002771 | 0 / 0 |
| P25101 | Endothelin-1 receptor | Endothelin receptor | C00002771 | 0 / 0 |
| P30411 | B2 bradykinin receptor | Bradykinin receptor | C00002771 | 0 / 0 |
| P32245 | Melanocortin receptor 4 | Melanocortin receptor | C00002771 | 1 / 0 |
| P32238 | Cholecystokinin receptor type A | Cholecystokinin receptor | C00002771 | 0 / 0 |
| P08311 | Cathepsin G | S1A | C00002771 | 0 / 0 |
| Q99720 | Sigma non-opioid intracellular receptor 1 | Membrane receptor | C00002771 | 1 / 0 |
| P03956 | Interstitial collagenase | M10A | C00002771 | 0 / 1 |
| P32241 | Vasoactive intestinal polypeptide receptor 1 | Vasoactive intestinal peptide receptor | C00002771 | 0 / 0 |
| P11308 | Transcriptional regulator ERG | Unclassified protein | C00002753 | 1 / 2 |
| P04150 | Glucocorticoid receptor | NR3C1 | C00002771 | 0 / 1 |
| P08172 | Muscarinic acetylcholine receptor M2 | Acetylcholine receptor | C00002771 | 2 / 0 |
| P11229 | Muscarinic acetylcholine receptor M1 | Acetylcholine receptor | C00002771 | 0 / 0 |
| P21554 | Cannabinoid receptor 1 | Cannabinoid receptor | C00002771 | 0 / 0 |
| P31645 | Sodium-dependent serotonin transporter | Serotonin | C00002771 | 2 / 0 |
| P04626 | Receptor tyrosine-protein kinase erbB-2 | TK tyrosine-protein kinase EGFR subfamily | C00002771 | 5 / 9 |
| P20309 | Muscarinic acetylcholine receptor M3 | Acetylcholine receptor | C00002771 | 1 / 0 |
| P21452 | Substance-K receptor | Neurokinin receptor | C00002771 | 0 / 0 |
| P51679 | C-C chemokine receptor type 4 | CC chemokine receptor | C00002771 | 0 / 0 |
| P51681 | C-C chemokine receptor type 5 | CC chemokine receptor | C00002771 | 3 / 0 |
| P50406 | 5-hydroxytryptamine receptor 6 | Serotonin receptor | C00002771 | 0 / 0 |
| Q96RI1 | Bile acid receptor | NR1H4 | C00002753 | 0 / 0 |
| P41597 | C-C chemokine receptor type 2 | CC chemokine receptor | C00002771 | 1 / 0 |
| P28482 | Mitogen-activated protein kinase 1 | Erk | C00002771 | 0 / 0 |
| P08575 | Receptor-type tyrosine-protein phosphatase C | Enzyme | C00002771 | 2 / 1 |
| P21728 | D(1A) dopamine receptor | Dopamine receptor | C00002771 | 0 / 0 |
| P51449 | Nuclear receptor ROR-gamma | Nuclear hormone receptor subfamily 1 group F member 3 | C00002753 | 0 / 0 |
| O76074 | cGMP-specific 3',5'-cyclic phosphodiesterase | PDE_5A | C00002771 | 0 / 0 |
| P03372 | Estrogen receptor | NR3A1 | C00002771 | 1 / 1 |
| P08588 | Beta-1 adrenergic receptor | Adrenergic receptor | C00002771 | 1 / 0 |
| P22303 | Acetylcholinesterase | Hydrolase | C00002771 | 1 / 0 |
| P28223 | 5-hydroxytryptamine receptor 2A | Serotonin receptor | C00002771 | 0 / 0 |
| P28335 | 5-hydroxytryptamine receptor 2C | Serotonin receptor | C00002771 | 0 / 0 |
| P35372 | Mu-type opioid receptor | Opioid receptor | C00002771 | 0 / 0 |
| P08173 | Muscarinic acetylcholine receptor M4 | Acetylcholine receptor | C00002771 | 0 / 0 |
| P25103 | Substance-P receptor | Neurokinin receptor | C00002771 | 0 / 0 |
| P25105 | Platelet-activating factor receptor | PAF receptor | C00002771 | 0 / 0 |
| P33032 | Melanocortin receptor 5 | Melanocortin receptor | C00002771 | 0 / 0 |
| P33261 | Cytochrome P450 2C19 | Cytochrome P450 2C19 | C00002771 | 1 / 1 |
| P10635 | Cytochrome P450 2D6 | Cytochrome P450 2D6 | C00002771 | 1 / 0 |
| P05181 | Cytochrome P450 2E1 | Cytochrome P450 2E1 | C00002771 | 0 / 0 |
| P10636 | Microtubule-associated protein tau | Unclassified protein | C00002771 | 4 / 3 |
| Q9UIF8 | Bromodomain adjacent to zinc finger domain protein 2B | Unclassified protein | C00002753 | 0 / 0 |
| P10275 | Androgen receptor | NR3C4 | C00002753 | 3 / 4 |
| P23975 | Sodium-dependent noradrenaline transporter | Norepinephrine | C00002771 | 1 / 1 |
| P25100 | Alpha-1D adrenergic receptor | Adrenergic receptor | C00002771 | 0 / 0 |
| P30542 | Adenosine receptor A1 | Adenosine receptor | C00002771 | 0 / 0 |
| P18089 | Alpha-2B adrenergic receptor | Adrenergic receptor | C00002771 | 0 / 0 |
| P24557 | Thromboxane-A synthase | Cytochrome P450 5A1 | C00002771 | 1 / 1 |
| P06239 | Tyrosine-protein kinase Lck | Src | C00002771 | 0 / 1 |
| P25025 | C-X-C chemokine receptor type 2 | CXC chemokine receptor | C00002771 | 0 / 0 |
14 Gene in CTD interactions
| gene | gene name | gene description | KNApSAcK metabolite in interactions |
|---|---|---|---|
| 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) |
C00002753
C00002771
|
| 841 | CASP8, ALPS2B, CAP4, Casp-8, FLICE, MACH, MCH5 | caspase 8, apoptosis-related cysteine peptidase (EC:3.4.22.61) |
C00002771
|
| 317 | APAF1, APAF-1, CED4 | apoptotic peptidase activating factor 1 |
C00002771
|
| 581 | BAX, BCL2L4 | BCL2-associated X protein |
C00002771
|
| 596 | BCL2, Bcl-2, PPP1R50 | B-cell CLL/lymphoma 2 |
C00002771
|
| 637 | BID, FP497 | BH3 interacting domain death agonist |
C00002771
|
| 836 | CASP3, CPP32, CPP32B, SCA-1 | caspase 3, apoptosis-related cysteine peptidase (EC:3.4.22.56) |
C00002771
|
| 5243 | ABCB1, ABC20, CD243, CLCS, GP170, MDR1, P-GP, PGY1 | ATP-binding cassette, sub-family B (MDR/TAP), member 1 (EC:3.6.3.44) |
C00002753
|
| 842 | CASP9, APAF-3, APAF3, ICE-LAP6, MCH6, PPP1R56 | caspase 9, apoptosis-related cysteine peptidase (EC:3.4.22.62) |
C00002771
|
| 54205 | CYCS, CYC, HCS, THC4 | cytochrome c, somatic |
C00002771
|
| 1544 | CYP1A2, CP12, P3-450, P450(PA) | cytochrome P450, family 1, subfamily A, polypeptide 2 (EC:1.14.14.1) |
C00002771
|
| 1548 | CYP2A6, CPA6, CYP2A, CYP2A3, CYPIIA6, P450C2A, P450PB | cytochrome P450, family 2, subfamily A, polypeptide 6 (EC:1.14.14.1) |
C00002771
|
| 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) |
C00002771
|
| 1571 | CYP2E1, CPE1, CYP2E, P450-J, P450C2E | cytochrome P450, family 2, subfamily E, polypeptide 1 (EC:1.14.13.n7) |
C00002771
|
Related Diseases
Diseases related to proteins in ChEMBL interactions
OMIM (46)
| 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
|
| #208900 | Ataxia-telangiectasia; at |
Q13315
|
| #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
|
| #612219 | Ewing sarcoma; es |
P11308
|
| #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
|
| #609423 | Human immunodeficiency virus type 1, susceptibility to |
P41597
P51681 |
| #612244 | Inflammatory bowel disease 13; ibd13 |
P08183
|
| #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
|
| #126200 | Multiple sclerosis, susceptibility to; ms |
P08575
|
| #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
|
| #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
|
| #601104 | Supranuclear palsy, progressive, 1; psnp1 |
P10636
|
| #190300 | Tremor, hereditary essential, 1; etm1 |
P35462
|
| #610379 | West nile virus, susceptibility to |
P51681
|
| #112100 | Yt blood group antigen |
P22303
|
KEGG DISEASE (43)
| 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)
|
| 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)
P11308 (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)
|
| H00058 | Amyotrophic lateral sclerosis (ALS) |
P10636
(related)
|
| H00077 | Progressive supranuclear palsy (PSP) |
P10636
(related)
|
| H00078 | Frontotemporal lobar degeneration (FTLD) |
P10636
(related)
|
| H00035 | Ewing's sarcoma |
P11308
(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)
|
| H00720 | Long QT syndrome |
Q12809
(related)
|
| H00725 | Short QT syndrome |
Q12809
(related)
|
| H00005 | Chronic lymphocytic leukemia (CLL) |
Q13315
(related)
|
| H00064 | Ataxia telangiectasia (AT) |
Q13315
(related)
|
| H00094 | DNA repair defects |
Q13315
(related)
|
| H00848 | Ataxia with ocular apraxia (AOA) |
Q13315
(related)
|