KCF-S cluster No. 589 (14 metabolites)

Corresponding Phytochemical cluster No. 15


Plant Species


Cumulative plant class count

class name count
rosids 63
asterids 2

Cumulative family count

class name count
Fabaceae 63
Convolvulaceae 2

KEGG BRITE br08003 External link 512


Categories (1)

br08003 Category # of metabolite
Rotenones 4

metabolites link (5)

br08003 Category KEGG ID KNApSAcK ID
Rotenones C10417 C00002522
Rotenones C10506 C00002550
Rotenones C10535 C00002578
Rotenones C10537 C00002580
Rotenones C10537 C00029676

Metabolite list (14)

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
C00002522 External link 512 Deguelin
/ (-)-cis-Deguelin
CHEMBL393417
CHEMBL1592086
C107676
12 / 20 / 45 86 / 10
C00002550 External link 512 Millettone
C480849
C00002578 External link 512 Tephrosin
CHEMBL241806
C480848
6 / 0
C00002580 External link 512 Toxicarol
/ Toxicarin
/ alpha-Toxicarol
CHEMBL508992
CHEMBL1488225
10 / 9 / 6
C00009587 External link 512 Millettosin
/ 12a-Hydroxymillettone
C00009591 External link 512 11-Hydroxytephrosin
CHEMBL419669
C00009978 External link 512 Erythynone
/ (+)-2,3,10-Trimethoxy-6'',6''-dimethylpyrano[2'',3'':9,8]rotenone
C00009985 External link 512 (+)-12a-Hydroxyerythynone
C00018961 External link 512 Erypoegin G
/ 5-Hydroxy-7,2'-dimethoxy-6'',6''-dimethylpyrano[2'',3'':4',5']isoflavanone
C00018978 External link 512 (R)-Saclenone
/ (R)-5-Hydroxy-2',4',5'-trimethoxy-2'',2''-dimethylpyrano[5'',6'':6,7]isoflavanone
C00019050 External link 512 (+)-12a-Epimillettosin
/ (6aS,12aS)-12a-Hydroxy-2,3-methylenedioxy-6',6'-dimethoxypyr[2',3':9,8]rotenone
C00019586 External link 512 (-)-13alpha-Hydroxydeguelin
C00019587 External link 512 (-)-13alpha-Hydroxytephrosin
C00029676 External link 512 alpha-Toxicarol
/ (-)-alpha-Toxicarol
CHEMBL508992
CHEMBL1488225
10 / 9 / 6

Human Protein / Gene in interactions

18 ChEMBL Protein in interactions

accession description class description KNApSAcK metabolite in interactions # of diseases
(OMIM / KEGG)
O94782 Ubiquitin carboxyl-terminal hydrolase 1 Enzyme C00002522 C00002580 C00029676 0 / 0
P08684 Cytochrome P450 3A4 Cytochrome P450 3A4 C00002522 C00002580 C00029676 0 / 1
Q16637 Survival motor neuron protein Unclassified protein C00002522 C00002580 C00029676 4 / 1
P10636 Microtubule-associated protein tau Unclassified protein C00002522 C00002580 C00029676 4 / 3
O75604 Ubiquitin carboxyl-terminal hydrolase 2 Enzyme C00002580 C00029676 0 / 0
B2RXH2 Lysine-specific demethylase 4E Enzyme C00002580 C00029676 0 / 0
P00352 Retinal dehydrogenase 1 Enzyme C00002580 C00029676 0 / 0
Q96QE3 ATPase family AAA domain-containing protein 5 Unclassified protein C00002580 C00029676 0 / 0
Q9NUW8 Tyrosyl-DNA phosphodiesterase 1 Enzyme C00002580 C00029676 1 / 1
P28482 Mitogen-activated protein kinase 1 Erk C00002580 C00029676 0 / 0
P05177 Cytochrome P450 1A2 Cytochrome P450 1A2 C00002522 0 / 0
Q9HC16 DNA dC->dU-editing enzyme APOBEC-3G Enzyme C00002522 0 / 0
P33261 Cytochrome P450 2C19 Cytochrome P450 2C19 C00002522 1 / 1
P11712 Cytochrome P450 2C9 Cytochrome P450 2C9 C00002522 0 / 1
P27695 DNA-(apurinic or apyrimidinic site) lyase Enzyme C00002522 0 / 0
P16473 Thyrotropin receptor Glycohormone receptor C00002522 3 / 2
P04637 Cellular tumor antigen p53 Transcription Factor C00002522 7 / 37
P10635 Cytochrome P450 2D6 Cytochrome P450 2D6 C00002522 1 / 0

89 Gene in CTD interactions

gene gene name gene description KNApSAcK metabolite in interactions
4318 MMP9, CLG4B, GELB, MANDP2, MMP-9 matrix metallopeptidase 9 (gelatinase B, 92kDa gelatinase, 92kDa type IV collagenase) (EC:3.4.24.35) C00002522 C00002578
7124 TNF, DIF, TNF-alpha, TNFA, TNFSF2 tumor necrosis factor C00002522 C00002578
5743 PTGS2, COX-2, COX2, GRIPGHS, PGG/HS, PGHS-2, PHS-2, hCox-2 prostaglandin-endoperoxide synthase 2 (prostaglandin G/H synthase and cyclooxygenase) (EC:1.14.99.1) C00002522 C00002578
6615 SNAI1, SLUGH2, SNA, SNAH, SNAIL, SNAIL1, dJ710H13.1 snail family zinc finger 1 C00002522
545 ATR, FCTCS, FRP1, MEC1, SCKL, SCKL1 ataxia telangiectasia and Rad3 related (EC:2.7.11.1) C00002522
596 BCL2, Bcl-2, PPP1R50 B-cell CLL/lymphoma 2 C00002522
598 BCL2L1, BCL-XL/S, BCL2L, BCLX, BCLXL, BCLXS, Bcl-X, PPP1R52, bcl-xL, bcl-xS BCL2-like 1 C00002522
332 BIRC5, API4, EPR-1 baculoviral IAP repeat containing 5 C00002522
672 BRCA1, BRCAI, BRCC1, BROVCA1, IRIS, PNCA4, PPP1R53, PSCP, RNF53 breast cancer 1, early onset C00002522
768 CA9, CAIX, MN carbonic anhydrase IX (EC:4.2.1.1) C00002522
836 CASP3, CPP32, CPP32B, SCA-1 caspase 3, apoptosis-related cysteine peptidase (EC:3.4.22.56) C00002522
840 CASP7, CASP-7, CMH-1, ICE-LAP3, LICE2, MCH3 caspase 7, apoptosis-related cysteine peptidase (EC:3.4.22.60) C00002522
595 CCND1, BCL1, D11S287E, PRAD1, U21B31 cyclin D1 C00002522
1001 CDH3, CDHP, HJMD, PCAD cadherin 3, type 1, P-cadherin (placental) C00002522
1005 CDH7, CDH7L1 cadherin 7, type 2 C00002522
1007 CDH9 cadherin 9, type 2 (T1-cadherin) C00002522
1019 CDK4, CMM3, PSK-J3 cyclin-dependent kinase 4 (EC:2.7.11.22) C00002522
1026 CDKN1A, CAP20, CDKN1, CIP1, MDA-6, P21, SDI1, WAF1, p21CIP1 cyclin-dependent kinase inhibitor 1A (p21, Cip1) C00002522
8837 CFLAR, CASH, CASP8AP1, CLARP, Casper, FLAME, FLAME-1, FLAME1, FLIP, I-FLICE, MRIT, c-FLIP, c-FLIPL, c-FLIPR, c-FLIPS CASP8 and FADD-like apoptosis regulator C00002522
9075 CLDN2 claudin 2 C00002522
7122 CLDN5, AWAL, BEC1, CPETRL1, TMVCF claudin 5 C00002522
1499 CTNNB1, CTNNB, MRD19, armadillo catenin (cadherin-associated protein), beta 1, 88kDa C00002522
7852 CXCR4, CD184, D2S201E, FB22, HM89, HSY3RR, LAP3, LCR1, LESTR, NPY3R, NPYR, NPYRL, NPYY3R, WHIM chemokine (C-X-C motif) receptor 4 C00002522
27123 DKK2, DKK-2 dickkopf WNT signaling pathway inhibitor 2 C00002522
27121 DKK4, DKK-4 dickkopf WNT signaling pathway inhibitor 4 C00002522
1956 EGFR, ERBB, ERBB1, HER1, PIG61, mENA epidermal growth factor receptor (EC:2.7.10.1) C00002522
112399 EGLN3, HIFP4H3, HIFPH3, PHD3 egl-9 family hypoxia-inducible factor 3 (EC:1.14.11.29) C00002522
1978 EIF4EBP1, 4E-BP1, 4EBP1, BP-1, PHAS-I eukaryotic translation initiation factor 4E binding protein 1 C00002522
2034 EPAS1, ECYT4, HIF2A, HLF, MOP2, PASD2, bHLHe73 endothelial PAS domain protein 1 C00002522
2487 FRZB, FRE, FRITZ, FRP-3, FRZB-1, FRZB-PEN, FRZB1, FZRB, OS1, SFRP3, SRFP3, hFIZ frizzled-related protein C00002522
11211 FZD10, CD350, FZ-10, Fz10, FzE7, hFz10 frizzled family receptor 10 C00002522
8322 FZD4, CD344, EVR1, FEVR, FZD4S, Fz-4, Fz4, FzE4, GPCR, hFz4 frizzled family receptor 4 C00002522
8325 FZD8, FZ-8, hFZ8 frizzled family receptor 8 C00002522
2932 GSK3B glycogen synthase kinase 3 beta (EC:2.7.11.1 2.7.11.26) C00002522
3091 HIF1A, HIF-1A, HIF-1alpha, HIF1, HIF1-ALPHA, MOP1, PASD8, bHLHe78 hypoxia inducible factor 1, alpha subunit (basic helix-loop-helix transcription factor) C00002522
3383 ICAM1, BB2, CD54, P3.58 intercellular adhesion molecule 1 C00002522
3479 IGF1, IGF-I, IGF1A, IGFI insulin-like growth factor 1 (somatomedin C) C00002522
3480 IGF1R, CD221, IGFIR, IGFR, JTK13 insulin-like growth factor 1 receptor (EC:2.7.10.1) C00002522
3549 IHH, BDA1, HHG2 indian hedgehog C00002522
3586 IL10, CSIF, GVHDS, IL-10, IL10A, TGIF interleukin 10 C00002522
3576 IL8, CXCL8, GCP-1, GCP1, LECT, LUCT, LYNAP, MDNCF, MONAP, NAF, NAP-1, NAP1 interleukin 8 C00002522
3791 KDR, CD309, FLK1, VEGFR, VEGFR2 kinase insert domain receptor (a type III receptor tyrosine kinase) (EC:2.7.10.1) C00002522
4015 LOX lysyl oxidase (EC:1.4.3.13) C00002522
5604 MAP2K1, CFC3, MAPKK1, MEK1, MKK1, PRKMK1 mitogen-activated protein kinase kinase 1 (EC:2.7.12.2) C00002522
5605 MAP2K2, CFC4, MAPKK2, MEK2, MKK2, PRKMK2 mitogen-activated protein kinase kinase 2 (EC:2.7.12.2) C00002522
4170 MCL1, BCL2L3, EAT, MCL1-ES, MCL1L, MCL1S, Mcl-1, TM, bcl2-L-3, mcl1/EAT myeloid cell leukemia sequence 1 (BCL2-related) C00002522
4255 MGMT O-6-methylguanine-DNA methyltransferase (EC:2.1.1.63) C00002522
4288 MKI67, KIA, MIB-1 marker of proliferation Ki-67 C00002522
133 ADM, AM adrenomedullin C00002522
2475 MTOR, FRAP, FRAP1, FRAP2, RAFT1, RAPT1 mechanistic target of rapamycin (serine/threonine kinase) (EC:2.7.11.1) C00002522
4609 MYC, MRTL, MYCC, bHLHe39, c-Myc v-myc avian myelocytomatosis viral oncogene homolog C00002522
8202 NCOA3, ACTR, AIB-1, AIB1, CAGH16, CTG26, KAT13B, RAC3, SRC-3, SRC3, TNRC14, TNRC16, TRAM-1, bHLHe42, pCIP nuclear receptor coactivator 3 (EC:2.3.1.48) C00002522
4792 NFKBIA, IKBA, MAD-3, NFKBI nuclear factor of kappa light polypeptide gene enhancer in B-cells inhibitor, alpha C00002522
4846 NOS3, ECNOS, eNOS nitric oxide synthase 3 (endothelial cell) (EC:1.14.13.39) C00002522
4928 NUP98, ADIR2, NUP196, NUP96 nucleoporin 98kDa C00002522
4953 ODC1, ODC ornithine decarboxylase 1 (EC:4.1.1.17) C00002522
142 PARP1, ADPRT, ADPRT_1, ADPRT1, ARTD1, PARP, PARP-1, PPOL, pADPRT-1 poly (ADP-ribose) polymerase 1 (EC:2.4.2.30) C00002522
5163 PDK1 pyruvate dehydrogenase kinase, isozyme 1 (EC:2.7.11.2) C00002522
5290 PIK3CA, CLOVE, CWS5, MCAP, MCM, MCMTC, PI3K, p110-alpha phosphatidylinositol-4,5-bisphosphate 3-kinase, catalytic subunit alpha (EC:2.7.11.1 2.7.1.153) C00002522
5591 PRKDC, DNA-PKcs, DNAPK, DNPK1, HYRC, HYRC1, XRCC7, p350 protein kinase, DNA-activated, catalytic polypeptide (EC:2.7.11.1) C00002522
51129 ANGPTL4, ANGPTL2, ARP4, FIAF, HARP, HFARP, NL2, PGAR, UNQ171, pp1158 angiopoietin-like 4 C00002522
5925 RB1, OSRC, RB, p105-Rb, pRb, pp110 retinoblastoma 1 C00002522
5970 RELA, NFKB3, p65 v-rel avian reticuloendotheliosis viral oncogene homolog A C00002522
6194 RPS6, S6 ribosomal protein S6 C00002522
6198 RPS6KB1, PS6K, S6K, S6K-beta-1, S6K1, STK14A, p70_S6KA, p70(S6K)-alpha, p70-S6K, p70-alpha ribosomal protein S6 kinase, 70kDa, polypeptide 1 (EC:2.7.11.1) C00002522
6423 SFRP2, FRP-2, SARP1, SDF-5 secreted frizzled-related protein 2 C00002522
472 ATM, AT1, ATA, ATC, ATD, ATDC, ATE, TEL1, TELO1 ataxia telangiectasia mutated (EC:2.7.11.1) C00002522
8403 SOX14, SOX28 SRY (sex determining region Y)-box 14 C00002522
11063 SOX30 SRY (sex determining region Y)-box 30 C00002522
6660 SOX5, L-SOX5 SRY (sex determining region Y)-box 5 C00002522
6714 SRC, ASV, SRC1, c-SRC, p60-Src v-src avian sarcoma (Schmidt-Ruppin A-2) viral oncogene homolog (EC:2.7.10.2) C00002522
6774 STAT3, APRF, HIES signal transducer and activator of transcription 3 (acute-phase response factor) C00002522
6778 STAT6, D12S1644, IL-4-STAT, STAT6B, STAT6C signal transducer and activator of transcription 6, interleukin-4 induced C00002522
412 STS, ARSC, ARSC1, ASC, ES, SSDD, XLI steroid sulfatase (microsomal), isozyme S (EC:3.1.6.2) C00002522
6925 TCF4, E2-2, ITF-2, ITF2, PTHS, SEF-2, SEF2, SEF2-1, SEF2-1A, SEF2-1B, TCF-4, bHLHb19 transcription factor 4 C00002522
207 AKT1, AKT, CWS6, PKB, PKB-ALPHA, PRKBA, RAC, RAC-ALPHA v-akt murine thymoma viral oncogene homolog 1 (EC:2.7.11.1) C00002522
7157 TP53, BCC7, LFS1, P53, TRP53 tumor protein p53 C00002522
7422 VEGFA, MVCD1, VEGF, VPF vascular endothelial growth factor A C00002522
11197 WIF1, WIF-1 WNT inhibitory factor 1 C00002522
80326 WNT10A, OODD, SSPS, STHAG4 wingless-type MMTV integration site family, member 10A C00002522
7481 WNT11, HWNT11 wingless-type MMTV integration site family, member 11 C00002522
7222233 C00002522
7472 WNT2, INT1L1, IRP wingless-type MMTV integration site family member 2 C00002522
7482 WNT2B, WNT13, XWNT2 wingless-type MMTV integration site family, member 2B C00002522
89780 WNT3A wingless-type MMTV integration site family, member 3A C00002522
331 XIAP, API3, BIRC4, IAP-3, ILP1, MIHA, XLP2, hIAP-3, hIAP3 X-linked inhibitor of apoptosis C00002522
329 BIRC2, API1, HIAP2, Hiap-2, MIHB, RNF48, c-IAP1, cIAP1 baculoviral IAP repeat containing 2 C00002578
330 BIRC3, AIP1, API2, CIAP2, HAIP1, HIAP1, MALT2, MIHC, RNF49, c-IAP2 baculoviral IAP repeat containing 3 C00002578
4843 NOS2, HEP-NOS, INOS, NOS, NOS2A nitric oxide synthase 2, inducible (EC:1.14.13.39) C00002578

Related Diseases

Diseases related to proteins in ChEMBL interactions

OMIM (21)

OMIM preferred title UniProt
#202300 Adrenocortical carcinoma, hereditary; adcc P04637
#614740 Basal cell carcinoma, susceptibility to, 7; bcc7 P04637
#609535 Drug metabolism, poor, cyp2c19-related P33261
#608902 Drug metabolism, poor, cyp2d6-related P10635
#133239 Esophageal cancer P04637
#600274 Frontotemporal dementia; ftd P10636
#603373 Hyperthyroidism, familial gestational P16473
#609152 Hyperthyroidism, nonautoimmune P16473
#275200 Hypothyroidism, congenital, nongoitrous, 1; chng1 P16473
#151623 Li-fraumeni syndrome 1; lfs1 P04637
#211980 Lung cancer P04637
#260500 Papilloma of choroid plexus; cpp P04637
#260540 Parkinson-dementia syndrome P10636
#172700 Pick disease of brain P10636
#253300 Spinal muscular atrophy, type i; sma1 Q16637
#253550 Spinal muscular atrophy, type ii; sma2 Q16637
#253400 Spinal muscular atrophy, type iii; sma3 Q16637
#271150 Spinal muscular atrophy, type iv; sma4 Q16637
#607250 Spinocerebellar ataxia, autosomal recessive, with axonal neuropathy; scan1 Q9NUW8
#275355 Squamous cell carcinoma, head and neck; hnscc P04637
#601104 Supranuclear palsy, progressive, 1; psnp1 P10636

KEGG DISEASE (46)

KEGG name UniProt
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)
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)
H00026 Endometrial Cancer P04637 (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)
H00033 Adrenal carcinoma P04637 (related)
H00036 Osteosarcoma P04637 (related)
P08684 (marker)
H00038 Malignant melanoma P04637 (related)
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)
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)
H00058 Amyotrophic lateral sclerosis (ALS) P10636 (related)
H00077 Progressive supranuclear palsy (PSP) P10636 (related)
H00078 Frontotemporal lobar degeneration (FTLD) P10636 (related)
H01205 Coumarin resistance P11712 (related)
H00250 Congenital nongoitrous hypothyroidism (CHNG) P16473 (related)
H01269 Congenital hyperthyroidism P16473 (related)
H01171 Poor drug metabolism (PM) P33261 (related)
H00455 Spinal muscular atrophy (SMA) Q16637 (related)
H00063 Spinocerebellar ataxia (SCA) Q9NUW8 (related)

Diseases related to CTD interactions

10 disease in interactions with metabolites

MESH or OMIM name KNApSAcK
metabolite
D001943 Breast Neoplasms C00002522
D006528 Carcinoma, Hepatocellular C00002522
D008175 Lung Neoplasms C00002522
D008207 Lymphatic Metastasis C00002522
D009361 Neoplasm Invasiveness C00002522
D009362 Neoplasm Metastasis C00002522
D009369 Neoplasms C00002522
D009374 Neoplasms, Experimental C00002522
D011471 Prostatic Neoplasms C00002522
D012878 Skin Neoplasms C00002522