| class name | count |
|---|---|
| asterids | 40 |
| rosids | 1 |
| class name | count |
|---|---|
| Solanaceae | 40 |
| Fabaceae | 1 |
| br08003 Category | # of metabolite |
|---|---|
| Others | 3 |
| br08003 Category | KEGG ID | KNApSAcK ID |
|---|---|---|
| Others | C08831 | C00003662 |
| Others | C08841 | C00003676 |
| Others | C08842 | C00003677 |
| KCF-S ID | # of metabolite |
|---|---|
| No. 176 | 34 |
| No. 5885 | 1 |
| 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 |
figure |
|---|---|---|---|---|---|---|---|
|
C00049631
|
Miroestrol
|
CHEMBL517833
|
C002366
|
No. 176 |
|
||
|
C00003676
|
Tubocapsanolide F
/ (+)-Tubocapsanolide F |
No. 176 |
|
||||
|
C00003677
|
Tubocapsanolide D
/ (+)-Tubocapsanolide D |
No. 176 |
|
||||
|
C00031020
|
Withaferin A
|
CHEMBL517080
CHEMBL578716 CHEMBL1221986 CHEMBL1419012 CHEMBL2143369 |
C009684
|
27 / 22 / 15 | 7 / 2 | No. 176 |
|
|
C00031534
|
Withaferin D
/ Withanolide D |
CHEMBL1222037
|
C010376
|
2 / 0 / 0 | No. 176 |
|
|
|
C00032513
|
(20S,22R)-5beta,6beta-Epoxy-4beta,14beta,15alpha-trihydroxy-1-oxowith-2,24-dienolide
/ (+)-(20S,22R)-5beta,6beta-Epoxy-4beta,14beta,15alpha-trihydroxy-1-oxowith-2,24-dienolide |
No. 176 |
|
||||
|
C00033134
|
23-Hydroxytubocapsanolide A
/ (-)-23-Hydroxytubocapsanolide A |
CHEMBL389413
|
No. 176 |
|
|||
|
C00034339
|
Tubocapsanolide A
/ (+)-Tubocapsanolide A |
CHEMBL227900
|
No. 176 |
|
|||
|
C00035011
|
20-Hydroxytubocapsanolide A
|
CHEMBL447848
|
No. 176 |
|
|||
|
C00035165
|
Withanolide A
/ (+)-Withanolide A |
CHEMBL445041
|
No. 176 |
|
|||
|
C00035210
|
Lycium substance B
|
No. 176 |
|
||||
|
C00038018
|
Withanone
|
CHEMBL516703
|
No. 176 |
|
|||
|
C00038151
|
27-Hydroxywithanone
|
No. 176 |
|
||||
|
C00038208
|
Withastramonolide
|
No. 176 |
|
||||
|
C00038215
|
Daturolactone 5
/ (-)-Daturolactone 5 |
No. 176 |
|
||||
|
C00039032
|
Daturolactone 7
/ (-)Daturolactone 7 |
No. 176 |
|
||||
|
C00039474
|
12-O-Methyl jaborosotetrol
|
No. 176 |
|
||||
|
C00049629
|
Physagulin L
/ (+)-Physagulin L |
No. 176 |
|
||||
|
C00040573
|
Trechonolide A
/ (+)-Trechonolide A |
CHEMBL1099355
|
No. 176 |
|
|||
|
C00040574
|
Physacoztolide C
/ (+)-Physacoztolide C |
No. 176 |
|
||||
|
C00040575
|
Physacoztolide A
/ (+)-Physacoztolide A |
No. 176 |
|
||||
|
C00040653
|
Physacoztolide B
/ (+)-Physacoztolide B |
No. 176 |
|
||||
|
C00040654
|
Dihydrowithaferin A
/ 2,3-Dihydrowithaferin A |
CHEMBL1934585
|
No. 176 |
|
|||
|
C00040655
|
Withacnistin
|
No. 176 |
|
||||
|
C00040656
|
Withaphysalin M
/ (+)-Withaphysalin M |
CHEMBL450392
|
No. 176 |
|
|||
|
C00040658
|
Withaphysalin N
/ (-)-Withaphysalin N |
CHEMBL502237
|
No. 176 |
|
|||
|
C00040659
|
Withangulatin C
/ (-)-Withangulatin C |
CHEMBL390641
|
No. 176 |
|
|||
|
C00040752
|
Withangulatin H
/ (-)-Withangulatin H |
CHEMBL387565
|
No. 176 |
|
|||
|
C00041760
|
Withangulatin D
/ (-)-Withangulatin D |
No. 176 |
|
||||
|
C00041761
|
Dihydrowithanolide E
/ 2,3-Dihydrowithanolide E |
No. 176 |
|
||||
|
C00041762
|
Withangulatin E
/ (+)-Withangulatin E |
No. 176 |
|
||||
|
C00044015
|
Withangulatin B
/ (+)-Withangulatin B |
CHEMBL390851
|
No. 176 |
|
|||
|
C00044016
|
Withangulatin G
/ (+)-Withangulatin G |
CHEMBL230882
|
No. 176 |
|
|||
|
C00040544
|
Jaborotetrol
|
CHEMBL1099356
|
No. 176 |
|
|||
|
C00003662
|
17-Hydroxy withaferin A
|
CHEMBL2047414
|
No. 5885 |
|
| accession | description | class description | KNApSAcK metabolite in interactions |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|
| P07355 | Annexin A2 | Unclassified protein | C00003676 C00003677 | 0 / 0 |
| P11142 | Heat shock cognate 71 kDa protein | Unclassified protein | C00003676 C00003677 | 0 / 0 |
| Q9Y253 | DNA polymerase eta | Enzyme | C00003676 | 1 / 1 |
| P06746 | DNA polymerase beta | Enzyme | C00003676 | 0 / 0 |
| P42574 | Caspase-3 | C14 | C00003676 | 0 / 0 |
| P28482 | Mitogen-activated protein kinase 1 | Erk | C00003676 | 0 / 0 |
| P27361 | Mitogen-activated protein kinase 3 | Erk | C00003676 | 0 / 0 |
| P11473 | Vitamin D3 receptor | NR1I1 | C00003676 | 2 / 3 |
| P42858 | Huntingtin | Unclassified protein | C00003676 | 1 / 1 |
| P84022 | Mothers against decapentaplegic homolog 3 | Unclassified protein | C00003676 | 2 / 0 |
| O75496 | Geminin | Unclassified protein | C00003676 | 0 / 0 |
| P51151 | Ras-related protein Rab-9A | Unclassified protein | C00003676 | 0 / 0 |
| P32245 | Melanocortin receptor 4 | Melanocortin receptor | C00003676 | 1 / 0 |
| P49798 | Regulator of G-protein signaling 4 | Unclassified protein | C00003676 | 2 / 0 |
| P17861 | X-box-binding protein 1 | Unclassified protein | C00003676 | 1 / 0 |
| O15118 | Niemann-Pick C1 protein | Unclassified protein | C00003676 | 1 / 1 |
| Q96QE3 | ATPase family AAA domain-containing protein 5 | Unclassified protein | C00003676 | 0 / 0 |
| P31749 | RAC-alpha serine/threonine-protein kinase | Akt | C00003676 | 4 / 1 |
| Q9UNA4 | DNA polymerase iota | Enzyme | C00003676 | 0 / 0 |
| Q6W5P4 | Neuropeptide S receptor | Neuropeptide receptor | C00003676 | 1 / 0 |
| P27695 | DNA-(apurinic or apyrimidinic site) lyase | Enzyme | C00003676 | 0 / 0 |
| P10636 | Microtubule-associated protein tau | Unclassified protein | C00003676 | 4 / 3 |
| Q16236 | Nuclear factor erythroid 2-related factor 2 | Unclassified protein | C00003676 | 0 / 0 |
| Q99700 | Ataxin-2 | Unclassified protein | C00003676 | 1 / 1 |
| O75874 | Isocitrate dehydrogenase [NADP] cytoplasmic | Enzyme | C00003676 | 1 / 0 |
| P01215 | Glycoprotein hormones alpha chain | Unclassified protein | C00003676 | 0 / 3 |
| Q14191 | Werner syndrome ATP-dependent helicase | Enzyme | C00003676 | 2 / 1 |
| gene | gene name | gene description | KNApSAcK metabolite in interactions |
|---|---|---|---|
| 468 | ATF4, CREB-2, CREB2, TAXREB67, TXREB | activating transcription factor 4 |
C00003676
|
| 596 | BCL2, Bcl-2, PPP1R50 | B-cell CLL/lymphoma 2 |
C00003676
|
| 1649 | DDIT3, CEBPZ, CHOP, CHOP-10, CHOP10, GADD153 | DNA-damage-inducible transcript 3 |
C00003676
|
| 54541 | DDIT4, Dig2, REDD-1, REDD1 | DNA-damage-inducible transcript 4 |
C00003676
|
| 83939 | EIF2A, EIF-2A, MST089, MSTP004, MSTP089 | eukaryotic translation initiation factor 2A, 65kDa |
C00003676
|
| 5599 | MAPK8, JNK, JNK-46, JNK1, JNK1A2, JNK21B1/2, PRKM8, SAPK1, SAPK1c | mitogen-activated protein kinase 8 (EC:2.7.11.24) |
C00003676
|
| 7494 | XBP1, TREB5, XBP-1, XBP2 | X-box binding protein 1 |
C00003676
|
| OMIM | preferred title | UniProt |
|---|---|---|
| #608584 | Asthma-related traits, susceptibility to, 2 |
Q6W5P4
|
| #114480 | Breast cancer |
P31749
|
| #114500 | Colorectal cancer; crc |
P31749
P84022 Q14191 |
| #615109 | Cowden syndrome 6; cws6 |
P31749
|
| #600274 | Frontotemporal dementia; ftd |
P10636
|
| #137800 | Glioma susceptibility 1; glm1 |
O75874
|
| #143100 | Huntington disease; hd |
P42858
|
| #613795 | Loeys-dietz syndrome, type 3; lds3 |
P84022
|
| #612371 | Major affective disorder 7; mafd7 |
P17861
|
| #607948 | Mycobacterium tuberculosis, susceptibility to |
P11473
|
| #257220 | Niemann-pick disease, type c1; npc1 |
O15118
|
| #601665 | Obesity |
P32245
|
| #260540 | Parkinson-dementia syndrome |
P10636
|
| #172700 | Pick disease of brain |
P10636
|
| #176920 | Proteus syndrome |
P31749
|
| #604906 | Schizophrenia 9; sczd9 |
P49798
|
| #181500 | Schizophrenia; sczd |
P49798
|
| #183090 | Spinocerebellar ataxia 2; sca2 |
Q99700
|
| #601104 | Supranuclear palsy, progressive, 1; psnp1 |
P10636
|
| #277440 | Vitamin d-dependent rickets, type 2a; vddr2a |
P11473
|
| #277700 | Werner syndrome; wrn |
Q14191
|
| #278750 | Xeroderma pigmentosum, variant type; xpv |
Q9Y253
|
| KEGG | name | UniProt |
|---|---|---|
| H00136 | Niemann-Pick disease type C (NPC) |
O15118
(related)
|
| H00081 | Hashimoto's thyroiditis |
P01215
(marker)
|
| H00082 | Graves' disease |
P01215
(marker)
|
| H00250 | Congenital nongoitrous hypothyroidism (CHNG) |
P01215
(marker)
|
| H00058 | Amyotrophic lateral sclerosis (ALS) |
P10636
(related)
|
| H00077 | Progressive supranuclear palsy (PSP) |
P10636
(related)
|
| H00078 | Frontotemporal lobar degeneration (FTLD) |
P10636
(related)
|
| H00342 | Tuberculosis |
P11473
(related)
|
| H00784 | Localized autosomal recessive hypotrichosis |
P11473
(related)
|
| H01143 | Vitamin D-dependent rickets |
P11473
(related)
|
| H00539 | PTEN hamartoma tumor syndrome (PHTS) |
P31749
(related)
|
| H00059 | Huntington's disease (HD) |
P42858
(related)
|
| H00296 | Defects in RecQ helicases |
Q14191
(related)
|
| H00063 | Spinocerebellar ataxia (SCA) |
Q99700
(related)
|
| H00403 | Disorders of nucleotide excision repair |
Q9Y253
(related)
|