Species

KNApSAcK Entry

Organism name Centaurea sessilis
Genus Centaurea
Family Asteraceae
Kingdom Plantae

NCBI taxonomy

Entry

Linked NCBI taxonomy name Centaurea
Linked NCBI taxonomy ID 41503
Linked level genus

Family

Family in NCBI taxonomy Asteraceae
ID 4210

Kingdom (Superkingdom)

Kingdom (Superkingdom) in NCBI taxonomy Viridiplantae
ID 33090

Plant class

Plant class asterids
ID 71274

Metabolite list (35)

KNApSAcK ID name ChEMBL link CTD link # of proteins in
ChEMBL interaction
/ related OMIM
/ related KEGG DISEASE
# of genes in
CTD interaction
/ related diseases
KCF-S
cluster
phytochemical
cluster
figure
C00035896 External link 512 Vulgarol B
No. 149 No. 38
C00021423 External link 512 1,5-Epoxysalvial-4(14)-ene
No. 311
C00003118 External link 512 Copaene
/ alpha-Copaene
/ (-)-alpha-Copaene
No. 333 No. 38
C00029977 External link 512 cis-Verbenol
No. 476 No. 35
C00000816 External link 512 beta-Pinene
CHEMBL501351
C010789
No. 476 No. 35
C00003110 External link 512 Caryophyllene
/ (E)-Caryophyllene
/ beta-Caryophyllene
/ (-)-(E)-Caryophyllene
/ (E)-beta-Caryophyllene
CHEMBL445740
CHEMBL448700
2 / 3 / 7 No. 478 No. 38
C00000164 External link 512 beta-Eudesmol
CHEMBL88244
C051082
No. 524 No. 38
C00035560 External link 512 Cetene
C010734
No. 599
C00030480 External link 512 Hexahydrofarnesyl acetone
/ 6,10,14-Trimethyl-2-pentadecanone
C014584
No. 641 No. 38
C00022119 External link 512 (Z)-Phytol
/ cis-Phytol
CHEMBL390773
CHEMBL1644111
No. 641 No. 38
C00007242 External link 512 beta-Bisabolene
/ l-beta-Bisabolene
/ (-)-beta-Bisabolene
CHEMBL444389
CHEMBL1077088
CHEMBL2001434
No. 701 No. 38
C00000823 External link 512 Limonene
CHEMBL15799
CHEMBL449062
C008281
7 / 21 / 48 6 / 6 No. 848 No. 35
C00007535 External link 512 Phenylacetaldehyde
/ Benzeneacetaldehyde
/ Phenylacetic aldehyde
C013192
3 / 0 No. 885
C00003047 External link 512 Linalool
/ (R)-linalool
/ (R)-(-)-3,7-Dimethyl-1,6-octadien-3-ol
CHEMBL25306
CHEMBL235672
C018584
6 / 8 / 2 35 / 4 No. 958 No. 34
C00029881 External link 512 Calarene
/ (+)-1(10)-Aristolene
No. 1097
C00021283 External link 512 Cyperene
No. 1454
C00022163 External link 512 Farnesylacetone
/ Farnesyl acetone
CHEMBL486207
No. 1468
C00000149 External link 512 Spathulenol
CHEMBL518542
CHEMBL1774433
C013258
No. 1603
C00020067 External link 512 alpha-Calacorene
No. 1859
C00030804 External link 512 n-Decanal
C021170
2 / 0 No. 1993
C00030828 External link 512 Nonanal
/ n-Nonanal
C008664
1 / 1 No. 1993
C00003040 External link 512 p-Cymene
CHEMBL442915
C007210
No. 2172 No. 35
C00029816 External link 512 beta-Ionone
CHEMBL559945
No. 2480 No. 38
C00011720 External link 512 Germacrene D
/ (-)-Germacrene D
CHEMBL105432
CHEMBL1836650
No. 2639 No. 38
C00034763 External link 512 2-Amylfuran
/ 2-Pentylfuran
No. 3145
C00034880 External link 512 n-Heptanal
CHEMBL18104
C046204
2 / 3 / 2 1 / 0 No. 3593
C00030880 External link 512 Octanal
/ n-Octanal
CHEMBL18407
C031639
2 / 0 No. 3593
C00021428 External link 512 Mintketone
/ Salvial-4(14)-en-1-one
No. 3830
C00000827 External link 512 (+)-Pulegone
/ (+)-(R)-Pulegone
CHEMBL366136
CHEMBL1898498
2 / 0 / 0 No. 4648 No. 35
C00034452 External link 512 Benzaldehyde
CHEMBL15972
C032175
8 / 7 / 3 3 / 1 No. 6311
C00035894 External link 512 Verbenene
No. 6596
C00035509 External link 512 5-Pentyl-3H-furan-2-one
/ 5-(1-Pentyl)-3H-furan-2-one
No. 6669
C00035737 External link 512 Safranal
C087963
No. 7781
C00035586 External link 512 Dihydroedulan I
No. 7983
C00035536 External link 512 beta-Damascenone
No. 8050

Human Protein / Gene in interactions

24 ChEMBL Protein in interactions

accession description class description KNApSAcK metabolite in interactions # of diseases
(OMIM / KEGG)
Q03181 Peroxisome proliferator-activated receptor delta NR1C2 C00000823 C00000827 C00034452 0 / 0
P10828 Thyroid hormone receptor beta NR1A2 C00000823 C00003047 3 / 1
P10145 Interleukin-8 Secreted protein C00034452 0 / 0
P22310 UDP-glucuronosyltransferase 1-4 Enzyme C00003047 3 / 0
P02545 Prelamin-A/C Unclassified protein C00000823 11 / 10
P16473 Thyrotropin receptor Glycohormone receptor C00034880 3 / 2
P04637 Cellular tumor antigen p53 Transcription Factor C00000823 7 / 37
P19793 Retinoic acid receptor RXR-alpha NR2B1 C00000823 0 / 0
P00352 Retinal dehydrogenase 1 Enzyme C00034452 0 / 0
P11509 Cytochrome P450 2A6 Cytochrome P450 2A6 C00034452 0 / 0
P14902 Indoleamine 2,3-dioxygenase 1 Enzyme C00034452 0 / 0
P84022 Mothers against decapentaplegic homolog 3 Unclassified protein C00034452 2 / 0
P35354 Prostaglandin G/H synthase 2 Oxidoreductase C00000823 0 / 3
O00519 Fatty-acid amide hydrolase 1 Enzyme C00034880 0 / 0
P83916 Chromobox protein homolog 1 Unclassified protein C00003047 0 / 0
P14679 Tyrosinase Oxidoreductase C00034452 4 / 2
Q96RI1 Bile acid receptor NR1H4 C00000827 0 / 0
Q9Y4X1 UDP-glucuronosyltransferase 2A1 Enzyme C00003047 0 / 0
P03372 Estrogen receptor NR3A1 C00034452 1 / 1
P16050 Arachidonate 15-lipoxygenase Enzyme C00003047 0 / 0
P22309 UDP-glucuronosyltransferase 1-1 Enzyme C00003047 5 / 1
Q16236 Nuclear factor erythroid 2-related factor 2 Unclassified protein C00000823 0 / 0
O00255 Menin Unclassified protein C00003110 2 / 5
Q03164 Histone-lysine N-methyltransferase 2A Enzyme C00003110 1 / 2

44 Gene in CTD interactions

gene gene name gene description KNApSAcK metabolite in interactions
231 AKR1B1, ADR, ALDR1, ALR2, AR aldo-keto reductase family 1, member B1 (aldose reductase) (EC:1.1.1.21) C00030804 C00030828 C00030880 C00034880
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) C00003047 C00007535
217 ALDH2, ALDH-E2, ALDHI, ALDM aldehyde dehydrogenase 2 family (mitochondrial) (EC:1.2.1.3) C00030804 C00034452
221 ALDH3B1, ALDH4, ALDH7 aldehyde dehydrogenase 3 family, member B1 (EC:1.2.1.5) C00030880 C00034452
4852 NPY, PYY4 neuropeptide Y C00000823 C00003047
7157 TP53, BCC7, LFS1, P53, TRP53 tumor protein p53 C00000823 C00003047
1543 CYP1A1, AHH, AHRR, CP11, CYP1, P1-450, P450-C, P450DX cytochrome P450, family 1, subfamily A, polypeptide 1 (EC:1.14.14.1) C00000823 C00003047
2335 FN1, CIG, ED-B, FINC, FN, FNZ, GFND, GFND2, LETS, MSF fibronectin 1 C00003047
3576 IL8, CXCL8, GCP-1, GCP1, LECT, LUCT, LYNAP, MDNCF, MONAP, NAF, NAP-1, NAP1 interleukin 8 C00007535
7124 TNF, DIF, TNF-alpha, TNFA, TNFSF2 tumor necrosis factor C00007535
207 AKT1, AKT, CWS6, PKB, PKB-ALPHA, PRKBA, RAC, RAC-ALPHA v-akt murine thymoma viral oncogene homolog 1 (EC:2.7.11.1) C00003047
1386 ATF2, CRE-BP1, CREB2, HB16, TREB7 activating transcription factor 2 (EC:2.3.1.48) C00003047
329 BIRC2, API1, HIAP2, Hiap-2, MIHB, RNF48, c-IAP1, cIAP1 baculoviral IAP repeat containing 2 C00003047
330 BIRC3, AIP1, API2, CIAP2, HAIP1, HIAP1, MALT2, MIHC, RNF49, c-IAP2 baculoviral IAP repeat containing 3 C00003047
1026 CDKN1A, CAP20, CDKN1, CIP1, MDA-6, P21, SDI1, WAF1, p21CIP1 cyclin-dependent kinase inhibitor 1A (p21, Cip1) C00003047
1027 CDKN1B, CDKN4, KIP1, MEN1B, MEN4, P27KIP1 cyclin-dependent kinase inhibitor 1B (p27, Kip1) C00003047
1028 CDKN1C, BWCR, BWS, KIP2, WBS, p57, p57Kip2 cyclin-dependent kinase inhibitor 1C (p57, Kip2) C00003047
1030 CDKN2B, CDK4I, INK4B, MTS2, P15, TP15, p15INK4b cyclin-dependent kinase inhibitor 2B (p15, inhibits CDK4) C00003047
1447 CSN2, CASB casein beta C00003047
1509 CTSD, CLN10, CPSD cathepsin D (EC:3.4.23.5) C00003047
1906 EDN1, ET1, HDLCQ7, PPET1 endothelin 1 C00003047
1956 EGFR, ERBB, ERBB1, HER1, PIG61, mENA epidermal growth factor receptor (EC:2.7.10.1) C00003047
3265 HRAS, C-BAS/HAS, C-H-RAS, C-HA-RAS1, CTLO, H-RASIDX, HAMSV, HRAS1, K-RAS, N-RAS, RASH1 Harvey rat sarcoma viral oncogene homolog C00000823
1647 GADD45A, DDIT1, GADD45 growth arrest and DNA-damage-inducible, alpha C00003047
2729 GCLC, GCL, GCS, GLCL, GLCLC glutamate-cysteine ligase, catalytic subunit (EC:6.3.2.2) C00003047
3156 HMGCR, LDLCQ3 3-hydroxy-3-methylglutaryl-CoA reductase (EC:1.1.1.34) C00003047
3297 HSF1, HSTF1 heat shock transcription factor 1 C00003047
3320 HSP90AA1, EL52, HSP86, HSP89A, HSP90A, HSP90N, HSPC1, HSPCA, HSPCAL1, HSPCAL4, HSPN, Hsp89, Hsp90, LAP2 heat shock protein 90kDa alpha (cytosolic), class A member 1 C00003047
3308 HSPA4, APG-2, HS24/P52, HSPH2, RY, hsp70, hsp70RY heat shock 70kDa protein 4 C00003047
3316 HSPB2, HSP27, Hs.78846, LOH11CR1K, MKBP heat shock 27kDa protein 2 C00003047
3398 ID2, GIG8, ID2A, ID2H, bHLHb26 inhibitor of DNA binding 2, dominant negative helix-loop-helix protein C00003047
3638 INSIG1, CL-6, CL6 insulin induced gene 1 C00003047
3725 JUN, AP-1, AP1, c-Jun jun proto-oncogene C00003047
8850 KAT2B, CAF, P, P/CAF, PCAF K(lysine) acetyltransferase 2B (EC:2.3.1.48) C00003047
4193 MDM2, ACTFS, HDMX, hdm2 MDM2 oncogene, E3 ubiquitin protein ligase C00003047
4609 MYC, MRTL, MYCC, bHLHe39, c-Myc v-myc avian myelocytomatosis viral oncogene homolog C00003047
4790 NFKB1, EBP-1, KBF1, NF-kB1, NF-kappa-B, NF-kappaB, NFKB-p105, NFKB-p50, NFkappaB, p105, p50 nuclear factor of kappa light polypeptide gene enhancer in B-cells 1 C00003047
100124292 C00003047
7295 TXN, TRDX, TRX, TRX1 thioredoxin C00003047
7471 WNT1, BMND16, INT1, OI15 wingless-type MMTV integration site family, member 1 C00003047
26118 WSB1, SWIP1, WSB-1 WD repeat and SOCS box containing 1 C00003047
3162 HMOX1, HMOX1D, HO-1, HSP32, bK286B10 heme oxygenase (decycling) 1 (EC:1.14.99.3) C00000823
596 BCL2, Bcl-2, PPP1R50 B-cell CLL/lymphoma 2 C00000823
218 ALDH3A1, ALDH3, ALDHIII aldehyde dehydrogenase 3 family, member A1 (EC:1.2.1.5) C00034452

Related Diseases

Diseases related to proteins in ChEMBL interactions

OMIM (39)

OMIM preferred title UniProt
#202300 Adrenocortical carcinoma, hereditary; adcc P04637
#103470 Albinism, ocular, with sensorineural deafness P14679
#203100 Albinism, oculocutaneous, type ia; oca1a P14679
#606952 Albinism, oculocutaneous, type ib; oca1b P14679
#614740 Basal cell carcinoma, susceptibility to, 7; bcc7 P04637
#601816 Bilirubin, serum level of, quantitative trait locus 1; biliqtl1 P22309
#115200 Cardiomyopathy, dilated, 1a; cmd1a P02545
#212112 Cardiomyopathy, dilated, with hypergonadotropic hypogonadism P02545
#605588 Charcot-marie-tooth disease, axonal, type 2b1; cmt2b1 P02545
#114500 Colorectal cancer; crc P84022
#218800 Crigler-najjar syndrome, type i P22309
P22310
#606785 Crigler-najjar syndrome, type ii P22309
P22310
#181350 Emery-dreifuss muscular dystrophy 2, autosomal dominant; edmd2 P02545
#133239 Esophageal cancer P04637
#615363 Estrogen resistance; estrr P03372
#143500 Gilbert syndrome P22309
P22310
#605130 Hairy elbows, short stature, facial dysmorphism, and developmental delay Q03164
#610140 Heart-hand syndrome, slovenian type P02545
#176670 Hutchinson-gilford progeria syndrome; hgps P02545
#237900 Hyperbilirubinemia, transient familial neonatal; hblrtfn P22309
#145000 Hyperparathyroidism 1; hrpt1 O00255
#603373 Hyperthyroidism, familial gestational P16473
#609152 Hyperthyroidism, nonautoimmune P16473
#275200 Hypothyroidism, congenital, nongoitrous, 1; chng1 P16473
#151623 Li-fraumeni syndrome 1; lfs1 P04637
#151660 Lipodystrophy, familial partial, type 2; fpld2 P02545
#613795 Loeys-dietz syndrome, type 3; lds3 P84022
#211980 Lung cancer P04637
#248370 Mandibuloacral dysplasia with type a lipodystrophy; mada P02545
#131100 Multiple endocrine neoplasia, type i; men1 O00255
#613205 Muscular dystrophy, congenital, lmna-related P02545
#159001 Muscular dystrophy, limb-girdle, type 1b; lgmd1b P02545
#260500 Papilloma of choroid plexus; cpp P04637
#275210 Restrictive dermopathy, lethal P02545
#601800 Skin/hair/eye pigmentation, variation in, 3; shep3 P14679
#275355 Squamous cell carcinoma, head and neck; hnscc P04637
#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

KEGG DISEASE (58)

KEGG name UniProt
H00033 Adrenal carcinoma O00255 (related)
P04637 (related)
H00034 Carcinoid O00255 (related)
H00045 Malignant islet cell carcinoma O00255 (related)
H00246 Primary hyperparathyroidism O00255 (related)
H01102 Pituitary adenomas O00255 (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)
P04637 (related)
H00004 Chronic myeloid leukemia (CML) P04637 (related)
H00005 Chronic lymphocytic leukemia (CLL) P04637 (related)
H00006 Hairy-cell leukemia P04637 (related)
H00008 Burkitt lymphoma P04637 (related)
H00009 Adult T-cell leukemia P04637 (related)
H00010 Multiple myeloma P04637 (related)
H00013 Small cell lung cancer P04637 (related)
H00014 Non-small cell lung cancer P04637 (related)
H00015 Malignant pleural mesothelioma P04637 (related)
H00016 Oral cancer P04637 (related)
P04637 (marker)
H00017 Esophageal cancer P04637 (related)
P04637 (marker)
P35354 (related)
H00018 Gastric cancer P04637 (related)
H00019 Pancreatic cancer P04637 (related)
P04637 (marker)
H00020 Colorectal cancer P04637 (related)
P04637 (marker)
H00022 Bladder cancer P04637 (related)
H00025 Penile cancer P04637 (related)
P04637 (marker)
P35354 (related)
H00027 Ovarian cancer P04637 (related)
H00028 Choriocarcinoma P04637 (related)
H00029 Vulvar cancer P04637 (related)
H00031 Breast cancer P04637 (related)
H00032 Thyroid cancer P04637 (related)
H00036 Osteosarcoma P04637 (related)
H00038 Malignant melanoma P04637 (related)
P14679 (marker)
H00039 Basal cell carcinoma P04637 (related)
H00040 Squamous cell carcinoma P04637 (related)
H00041 Kaposi's sarcoma P04637 (related)
H00042 Glioma P04637 (related)
P04637 (marker)
H00044 Cancer of the anal canal P04637 (related)
H00046 Cholangiocarcinoma P04637 (related)
P35354 (related)
H00047 Gallbladder cancer P04637 (related)
H00048 Hepatocellular carcinoma P04637 (related)
H00055 Laryngeal cancer P04637 (related)
P04637 (marker)
H00881 Li-Fraumeni syndrome P04637 (related)
H01007 Choroid plexus papilloma P04637 (related)
H00021 Renal cell carcinoma P04637 (marker)
H00249 Thyroid hormone resistance syndrome P10828 (related)
H00168 Oculocutaneous albinism (OCA) P14679 (related)
H00250 Congenital nongoitrous hypothyroidism (CHNG) P16473 (related)
H01269 Congenital hyperthyroidism P16473 (related)
H00208 Hyperbilirubinemia P22309 (related)
H00001 Acute lymphoblastic leukemia (ALL) (precursor B lymphoblastic leukemia) Q03164 (related)
Q03164 (marker)
H00002 Acute lymphoblastic leukemia (ALL) (precursor T lymphoblastic leukemia) Q03164 (related)

Diseases related to CTD interactions

12 disease in interactions with metabolites

MESH or OMIM name KNApSAcK
metabolite
D003877 Dermatitis, Contact C00000823
D007674 Kidney Diseases C00000823
D008107 Liver Diseases C00000823
D008114 Liver Neoplasms, Experimental C00000823
D008569 Memory Disorders C00000823
D013276 Stomach Ulcer C00000823
D009336 Necrosis C00030828
D017453 Dermatitis, Irritant C00003047
D006937 Hypercholesterolemia C00003047
D007938 Leukemia C00003047
D009369 Neoplasms C00003047
D012640 Seizures C00034452