KCF-S cluster No. 314 (21 metabolites)
Corresponding Phytochemical cluster No. 6
Plant Species
Cumulative plant class count
| class name | count |
|---|---|
| asterids | 71 |
| rosids | 21 |
| eudicotyledons | 12 |
| Euphyllophyta | 4 |
Cumulative family count (Top 20)
| class name | count |
|---|---|
Asteraceae
|
31 |
|
Rosaceae
|
7 |
|
Apiaceae
|
6 |
|
Rubiaceae
|
6 |
|
Lamiaceae
|
6 |
|
Fabaceae
|
5 |
|
Solanaceae
|
5 |
|
Polygonaceae
|
4 |
|
Pteridaceae
|
4 |
|
Apocynaceae
|
3 |
|
Myrtaceae
|
3 |
|
Viscaceae
|
3 |
|
Caprifoliaceae
|
2 |
|
Loganiaceae
|
2 |
|
Ranunculaceae
|
2 |
|
Convolvulaceae
|
2 |
|
Malvaceae
|
2 |
|
Hypericaceae
|
2 |
|
Plantaginaceae
|
2 |
|
Eucommiaceae
|
1 |
KEGG BRITE br08003
Categories (1)
| br08003 Category | # of metabolite |
|---|---|
| Caffeate derivatives | 2 |
metabolites link (3)
| br08003 Category | KEGG ID | KNApSAcK ID |
|---|---|---|
| Caffeate derivatives | C00852 | C00002724 |
| Caffeate derivatives | C17147 | C00030807 |
| Caffeate derivatives | C00852 | C00049091 |
Metabolite list (21)
| 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 |
|---|---|---|---|---|---|---|
|
C00002717
|
1-Caffeoyl-4-deoxyquinic acid
|
|
||||
|
C00002724
|
Heriguard
/ Chlorogenic acid / 3-O-Caffeoylquinic acid |
CHEMBL284616
CHEMBL230481 CHEMBL249450 CHEMBL1332980 CHEMBL1394423 CHEMBL1419611 CHEMBL1473644 CHEMBL1552319 |
D002726
|
30 / 19 / 22 | 37 / 9 |
|
|
C00002730
|
4-p-Coumaroylquinic acid
|
|
||||
|
C00029511
|
3-O-Coumaroylquinic acid
/ 3-O-p-Coumaroyl quinic acid |
CHEMBL284243
|
|
|||
|
C00029540
|
4-Caffeoylquinic acid
/ 4-O-Caffeoylquinic acid |
|
||||
|
C00029541
|
4-O-Cinnamoylquinic acid
|
|
||||
|
C00029558
|
5-Caffeoylquinic acid methyl ester
|
CHEMBL416955
CHEMBL596924 CHEMBL1765881 CHEMBL1765882 CHEMBL2048503 CHEMBL2349427 |
6 / 5 / 4 |
|
||
|
C00029948
|
Methyl chlorogenate
/ Methyl 5-O-caffeoylquinate / Chlorogenic acid methyl ester |
CHEMBL416955
CHEMBL596924 CHEMBL1765881 CHEMBL1765882 CHEMBL2048503 CHEMBL2349427 |
6 / 5 / 4 |
|
||
|
C00030769
|
Methyl-3-O-feruloylquinate
|
|
||||
|
C00030807
|
Neochlorogenic acid
/ 5-Caffeoylquinic acid / 5-O-Caffeoylquinic acid |
CHEMBL284616
CHEMBL230481 CHEMBL249450 CHEMBL1332980 CHEMBL1394423 CHEMBL1419611 CHEMBL1473644 CHEMBL1552319 |
30 / 19 / 22 |
|
||
|
C00032657
|
4-O-p-Coumaroylquinic acid
|
|
||||
|
C00035932
|
3-Caffeoylquinic acid methyl ester
|
CHEMBL416955
CHEMBL596924 CHEMBL1765881 CHEMBL1765882 CHEMBL2048503 CHEMBL2349427 |
6 / 5 / 4 |
|
||
|
C00035939
|
3-Ferulylquinic acid
/ 3-O-Feruloylquinic acid |
|
||||
|
C00035951
|
4-O-Cinnamoyl quinic acid
|
|
||||
|
C00039428
|
Isochlorogenic acid
|
CHEMBL284616
CHEMBL230481 CHEMBL249450 CHEMBL1332980 CHEMBL1394423 CHEMBL1419611 CHEMBL1473644 CHEMBL1552319 |
30 / 19 / 22 |
|
||
|
C00042501
|
Ethyl 4-O-caffeoylquinate
|
CHEMBL485994
|
|
|||
|
C00042735
|
methyl 4-O-coumaroylquinate
|
CHEMBL2349428
|
|
|||
|
C00042739
|
Methyl-4-O-caffeoylquinate
/ (+)-Methyl-4-O-caffeoylquinate |
CHEMBL2349426
|
|
|||
|
C00044603
|
Butyl chlorogenate
|
CHEMBL1087756
|
|
|||
|
C00044753
|
Ethyl chlorogenate
|
CHEMBL482232
|
|
|||
|
C00049091
|
5-Caffeoyl quinic acid
/ (+)-5-Caffeoyl quinic acid |
CHEMBL284616
CHEMBL230481 CHEMBL249450 CHEMBL1332980 CHEMBL1394423 CHEMBL1419611 CHEMBL1473644 CHEMBL1552319 |
30 / 19 / 22 |
|
Human Protein / Gene in interactions
36 ChEMBL Protein in interactions
| accession | description | class description | KNApSAcK metabolite in interactions |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|
| P10635 | Cytochrome P450 2D6 | Cytochrome P450 2D6 | C00002724 C00030807 C00039428 C00049091 | 1 / 0 |
| O60218 | Aldo-keto reductase family 1 member B10 | Enzyme | C00002724 C00030807 C00039428 C00049091 | 0 / 0 |
| P35354 | Prostaglandin G/H synthase 2 | Oxidoreductase | C00002724 C00030807 C00039428 C00049091 | 0 / 3 |
| Q12809 | Potassium voltage-gated channel subfamily H member 2 | KCNH, Kv10-12.x (Ether-a-go-go) | C00002724 C00030807 C00039428 C00049091 | 2 / 2 |
| Q13093 | Platelet-activating factor acetylhydrolase | Enzyme | C00002724 C00030807 C00039428 C00049091 | 3 / 0 |
| Q9NUW8 | Tyrosyl-DNA phosphodiesterase 1 | Enzyme | C00002724 C00030807 C00039428 C00049091 | 1 / 1 |
| Q96KQ7 | Histone-lysine N-methyltransferase EHMT2 | Enzyme | C00002724 C00030807 C00039428 C00049091 | 0 / 0 |
| P16473 | Thyrotropin receptor | Glycohormone receptor | C00002724 C00030807 C00039428 C00049091 | 3 / 2 |
| P11712 | Cytochrome P450 2C9 | Cytochrome P450 2C9 | C00002724 C00030807 C00039428 C00049091 | 0 / 1 |
| P00352 | Retinal dehydrogenase 1 | Enzyme | C00002724 C00030807 C00039428 C00049091 | 0 / 0 |
| O75496 | Geminin | Unclassified protein | C00002724 C00030807 C00039428 C00049091 | 0 / 0 |
| O60656 | UDP-glucuronosyltransferase 1-9 | Enzyme | C00002724 C00030807 C00039428 C00049091 | 0 / 0 |
| P15121 | Aldose reductase | Enzyme | C00002724 C00030807 C00039428 C00049091 | 0 / 0 |
| P10145 | Interleukin-8 | Secreted protein | C00002724 C00030807 C00039428 C00049091 | 0 / 0 |
| P40763 | Signal transducer and activator of transcription 3 | Transcription Factor | C00002724 C00030807 C00039428 C00049091 | 1 / 2 |
| P42224 | Signal transducer and activator of transcription 1-alpha/beta | Unclassified protein | C00002724 C00030807 C00039428 C00049091 | 3 / 3 |
| P04150 | Glucocorticoid receptor | NR3C1 | C00002724 C00030807 C00039428 C00049091 | 0 / 1 |
| P12931 | Proto-oncogene tyrosine-protein kinase Src | Src | C00002724 C00030807 C00039428 C00049091 | 0 / 0 |
| P06239 | Tyrosine-protein kinase Lck | Src | C00002724 C00030807 C00039428 C00049091 | 0 / 1 |
| P05177 | Cytochrome P450 1A2 | Cytochrome P450 1A2 | C00002724 C00030807 C00039428 C00049091 | 0 / 0 |
| B2RXH2 | Lysine-specific demethylase 4E | Enzyme | C00002724 C00030807 C00039428 C00049091 | 0 / 0 |
| Q99714 | 3-hydroxyacyl-CoA dehydrogenase type-2 | Enzyme | C00002724 C00030807 C00039428 C00049091 | 3 / 3 |
| P51692 | Signal transducer and activator of transcription 5B | Unclassified protein | C00002724 C00030807 C00039428 C00049091 | 1 / 1 |
| P33261 | Cytochrome P450 2C19 | Cytochrome P450 2C19 | C00002724 C00030807 C00039428 C00049091 | 1 / 1 |
| P08684 | Cytochrome P450 3A4 | Cytochrome P450 3A4 | C00002724 C00030807 C00039428 C00049091 | 0 / 1 |
| O75164 | Lysine-specific demethylase 4A | Enzyme | C00002724 C00030807 C00039428 C00049091 | 0 / 0 |
| P27695 | DNA-(apurinic or apyrimidinic site) lyase | Enzyme | C00002724 C00030807 C00039428 C00049091 | 0 / 0 |
| P19224 | UDP-glucuronosyltransferase 1-6 | Enzyme | C00002724 C00030807 C00039428 C00049091 | 0 / 0 |
| Q16236 | Nuclear factor erythroid 2-related factor 2 | Unclassified protein | C00002724 C00030807 C00039428 C00049091 | 0 / 0 |
| O94925 | Glutaminase kidney isoform, mitochondrial | Enzyme | C00002724 C00030807 C00039428 C00049091 | 0 / 0 |
| P08254 | Stromelysin-1 | M10A | C00029558 C00029948 C00035932 | 1 / 0 |
| P08253 | 72 kDa type IV collagenase | M10A | C00029558 C00029948 C00035932 | 1 / 3 |
| P03956 | Interstitial collagenase | M10A | C00029558 C00029948 C00035932 | 0 / 1 |
| P14780 | Matrix metalloproteinase-9 | M10A | C00029558 C00029948 C00035932 | 2 / 2 |
| P39900 | Macrophage metalloelastase | M10A | C00029558 C00029948 C00035932 | 0 / 0 |
| P45452 | Collagenase 3 | M10A | C00029558 C00029948 C00035932 | 1 / 1 |
37 Gene in CTD interactions
| gene | gene name | gene description | KNApSAcK metabolite in interactions |
|---|---|---|---|
| 47 | ACLY, ACL, ATPCL, CLATP | ATP citrate lyase (EC:2.3.3.8) |
C00002724
|
| 358 | AQP1, AQP-CHIP, CHIP28, CO | aquaporin 1 |
C00002724
|
| 360 | AQP3, AQP-3, GIL | aquaporin 3 (Gill blood group) |
C00002724
|
| 367 | AR, AIS, DHTR, HUMARA, HYSP1, KD, NR3C4, SBMA, SMAX1, TFM | androgen receptor |
C00002724
|
| 960 | CD44, CDW44, CSPG8, ECMR-III, HCELL, HUTCH-I, IN, LHR, MC56, MDU2, MDU3, MIC4, Pgp1 | CD44 molecule (Indian blood group) |
C00002724
|
| 999 | CDH1, Arc-1, CD324, CDHE, ECAD, LCAM, UVO | cadherin 1, type 1, E-cadherin (epithelial) |
C00002724
|
| 1277 | COL1A1, OI4 | collagen, type I, alpha 1 |
C00002724
|
| 4512 | COX1, COI, MTCO1, MT-CO1 | cytochrome c oxidase subunit I |
C00002724
|
| 114757 | CYGB, HGB, STAP | cytoglobin |
C00002724
|
| 1830 | DSG3, CDHF6, PVA | desmoglein 3 |
C00002724
|
| 1950 | EGF, HOMG4, URG | epidermal growth factor |
C00002724
|
| 2200 | FBN1, ACMICD, ECTOL1, FBN, GPHYSD2, MASS, MFS1, OCTD, SGS, SSKS, WMS, WMS2 | fibrillin 1 |
C00002724
|
| 2201 | FBN2, CCA, DA9 | fibrillin 2 |
C00002724
|
| 2246 | FGF1, AFGF, ECGF, ECGF-beta, ECGFA, ECGFB, FGF-1, FGF-alpha, FGFA, GLIO703, HBGF-1, HBGF1 | fibroblast growth factor 1 (acidic) |
C00002724
|
| 2896 | GRN, CLN11, GEP, GP88, PCDGF, PEPI, PGRN | granulin |
C00002724
|
| 3036 | HAS1, HAS | hyaluronan synthase 1 (EC:2.4.1.212) |
C00002724
|
| 3315 | HSPB1, CMT2F, HMN2B, HS.76067, HSP27, HSP28, Hsp25, SRP27 | heat shock 27kDa protein 1 |
C00002724
|
| 3552 | IL1A, IL-1A, IL1, IL1-ALPHA, IL1F1 | interleukin 1, alpha |
C00002724
|
| 3852 | KRT5, CK5, DDD, DDD1, EBS2, K5, KRT5A | keratin 5 |
C00002724
|
| 4157 | MC1R, CMM5, MSH-R, SHEP2 | melanocortin 1 receptor (alpha melanocyte stimulating hormone receptor) |
C00002724
|
| 4846 | NOS3, ECNOS, eNOS | nitric oxide synthase 3 (endothelial cell) (EC:1.14.13.39) |
C00002724
|
| 5241 | PGR, NR3C3, PR | progesterone receptor |
C00002724
|
| 8985 | PLOD3, LH3 | procollagen-lysine, 2-oxoglutarate 5-dioxygenase 3 (EC:1.14.11.4) |
C00002724
|
| 5468 | PPARG, CIMT1, GLM1, NR1C3, PPARG1, PPARG2, PPARgamma | peroxisome proliferator-activated receptor gamma |
C00002724
|
| 5886 | RAD23A, HHR23A, HR23A | RAD23 homolog A (S. cerevisiae) |
C00002724
|
| 5914 | RARA, NR1B1, RAR | retinoic acid receptor, alpha |
C00002724
|
| 6256 | RXRA, NR2B1 | retinoid X receptor, alpha |
C00002724
|
| 6649 | SOD3, EC-SOD | superoxide dismutase 3, extracellular (EC:1.15.1.1) |
C00002724
|
| 6716 | SRD5A2 | steroid-5-alpha-reductase, alpha polypeptide 2 (3-oxo-5 alpha-steroid delta 4-dehydrogenase alpha 2) (EC:1.3.1.22) |
C00002724
|
| 7178 | TPT1, HRF, TCTP, p02, p23 | tumor protein, translationally-controlled 1 |
C00002724
|
| 7295 | TXN, TRDX, TRX, TRX1 | thioredoxin |
C00002724
|
| 7299 | TYR, ATN, CMM8, OCA1, OCA1A, OCAIA, SHEP3 | tyrosinase (EC:1.14.18.1) |
C00002724
|
| 7306 | TYRP1, CAS2, CATB, GP75, OCA3, TRP, TRP1, TYRP, b-PROTEIN | tyrosinase-related protein 1 (EC:1.14.18.-) |
C00002724
|
| 54575 | UGT1A10, UDPGT, UGT-1J, UGT1-10, UGT1.10, UGT1J | UDP glucuronosyltransferase 1 family, polypeptide A10 (EC:2.4.1.17) |
C00002724
|
| 54659 | UGT1A3, UDPGT, UDPGT_1-3, UGT-1C, UGT1-03, UGT1.3, UGT1C | UDP glucuronosyltransferase 1 family, polypeptide A3 (EC:2.4.1.17) |
C00002724
|
| 54577 | UGT1A7, UDPGT, UDPGT_1-7, UGT-1G, UGT1-07, UGT1.7, UGT1G | UDP glucuronosyltransferase 1 family, polypeptide A7 (EC:2.4.1.17) |
C00002724
|
| 54576 | UGT1A8, UDPGT, UDPGT_1-8, UGT-1H, UGT1-08, UGT1.8, UGT1A8S, UGT1H | UDP glucuronosyltransferase 1 family, polypeptide A8 (EC:2.4.1.17) |
C00002724
|
Related Diseases
Diseases related to proteins in ChEMBL interactions
OMIM (24)
| OMIM | preferred title | UniProt |
|---|---|---|
| #300438 | 17-beta-hydroxysteroid dehydrogenase x deficiency |
Q99714
|
| #600807 | Asthma, susceptibility to |
Q13093
|
| #209950 | Atypical mycobacteriosis, familial |
P42224
|
| #614162 | Candidiasis, familial, 7; candf7 |
P42224
|
| #614466 | Coronary heart disease, susceptibility to, 6; chds6 |
P08254
|
| #609535 | Drug metabolism, poor, cyp2c19-related |
P33261
|
| #608902 | Drug metabolism, poor, cyp2d6-related |
P10635
|
| #245590 | Growth hormone insensitivity with immunodeficiency |
P51692
|
| #147060 | Hyper-ige recurrent infection syndrome, autosomal dominant |
P40763
|
| #603373 | Hyperthyroidism, familial gestational |
P16473
|
| #609152 | Hyperthyroidism, nonautoimmune |
P16473
|
| #275200 | Hypothyroidism, congenital, nongoitrous, 1; chng1 |
P16473
|
| #147050 | Ige responsiveness, atopic; iger |
Q13093
|
| #603932 | Intervertebral disc disease; idd |
P14780
|
| #613688 | Long qt syndrome 2; lqt2 |
Q12809
|
| #300705 | Mental retardation, x-linked 17; mrx17 |
Q99714
|
| #300220 | Mental retardation, x-linked, syndromic 10; mrxs10 |
Q99714
|
| #613073 | Metaphyseal anadysplasia 2; mandp2 |
P14780
|
| #259600 | Multicentric osteolysis, nodulosis, and arthropathy; mona |
P08253
|
| #613796 | Mycobacterial and viral infections, susceptibility to, autosomal recessive |
P42224
|
| #614278 | Platelet-activating factor acetylhydrolase deficiency; pafad |
Q13093
|
| #609620 | Short qt syndrome 1; sqt1 |
Q12809
|
| #607250 | Spinocerebellar ataxia, autosomal recessive, with axonal neuropathy; scan1 |
Q9NUW8
|
| #602111 | Spondyloepimetaphyseal dysplasia, missouri type |
P45452
|
KEGG DISEASE (25)
| KEGG | name | UniProt |
|---|---|---|
| H00028 | Choriocarcinoma |
P03956
(related)
P08253 (related) |
| H00599 | 46,XX disorders of sex development (Disorders related to androgen excess) |
P04150
(related)
|
| H00093 | Combined immunodeficiencies (CIDs) |
P06239
(related)
|
| H00025 | Penile cancer |
P08253
(related)
P14780 (related) P35354 (related) |
| H00472 | Torg-Winchester syndrome |
P08253
(related)
|
| H00036 | Osteosarcoma |
P08684
(marker)
|
| H01205 | Coumarin resistance |
P11712
(related)
|
| H00479 | Metaphyseal dysplasias |
P14780
(related)
P45452 (related) |
| H00250 | Congenital nongoitrous hypothyroidism (CHNG) |
P16473
(related)
|
| H01269 | Congenital hyperthyroidism |
P16473
(related)
|
| H01171 | Poor drug metabolism (PM) |
P33261
(related)
|
| H00017 | Esophageal cancer |
P35354
(related)
|
| H00046 | Cholangiocarcinoma |
P35354
(related)
|
| H00016 | Oral cancer |
P40763
(related)
|
| H00107 | Other well-defined immunodeficiency syndromes |
P40763
(related)
|
| H00089 | IFN-gamma/IL-12 axis |
P42224
(related)
|
| H00363 | Candidiasis |
P42224
(related)
|
| H01109 | Chronic mucocutaneous candidiasis (CMC) |
P42224
(related)
|
| H00931 | Growth hormone insensitivity with immunodeficiency |
P51692
(related)
|
| H00720 | Long QT syndrome |
Q12809
(related)
|
| H00725 | Short QT syndrome |
Q12809
(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)
|
| H00063 | Spinocerebellar ataxia (SCA) |
Q9NUW8
(related)
|
Diseases related to CTD interactions
9 disease in interactions with metabolites
| MESH or OMIM | name |
KNApSAcK
metabolite |
|---|---|---|
| D000647 | Amnesia |
C00002724
|
| D056486 | Drug-Induced Liver Injury |
C00002724
|
| D006937 | Hypercholesterolemia |
C00002724
|
| D006951 | Hyperlipoproteinemias |
C00002724
|
| D015228 | Hypertriglyceridemia |
C00002724
|
| D052456 | Hypoalphalipoproteinemias |
C00002724
|
| D008545 | Melanoma |
C00002724
|
| D009336 | Necrosis |
C00002724
|
| D015431 | Weight Loss |
C00002724
|