KNApSAcK Metabolite C00003676
Metabolite
KNApSAcK Entry
| id | C00003676 |
|---|---|
| Name | Withaferin A |
| CAS RN | 5119-48-2 |
| Standard InChI | InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3/t15-,16-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C28H38O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,23-24,29,31H,5-6,9-13H2,1-4H3 |
Cluster
| Phytochemical cluster | No. 58 |
|---|---|
| KCF-S cluster | No. 176 |
Link
ChEMBL
| By standard InChI | CHEMBL517080 |
|---|---|
| By standard InChI Main Layer | CHEMBL517080 CHEMBL578716 CHEMBL1221986 CHEMBL1419012 CHEMBL2143369 |
KEGG
| By LinkDB | C08841 |
|---|
CTD
| By CAS RN | C009684 |
|---|
Species
Summary
Plant class
| class name | count |
|---|---|
| asterids | 4 |
Family
| family name | count |
|---|---|
| Solanaceae | 4 |
List (4)
* NCBI
| KNApSAcK organism | *ID | *family | *plant class | *kingdom |
|---|---|---|---|---|
| Acnistus arborescens | 362341 | Solanaceae | asterids | Viridiplantae |
| Withania ashwagandha | 126908 | Solanaceae | asterids | Viridiplantae |
| Withania coagulans | 180581 | Solanaceae | asterids | Viridiplantae |
| Withania somnifera | 126910 | Solanaceae | asterids | Viridiplantae |
Human Protein / Gene in interaction
27 ChEMBL Protein in interactions
| accession | description | class description | compound | assay ID (# of activities) |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|---|
| P17861 | X-box-binding protein 1 | Unclassified protein | CHEMBL1419012 |
CHEMBL1738682
(1)
|
1 / 0 |
| Q99700 | Ataxin-2 | Unclassified protein | CHEMBL1419012 |
CHEMBL2114784
(1)
|
1 / 1 |
| P49798 | Regulator of G-protein signaling 4 | Unclassified protein | CHEMBL1419012 |
CHEMBL1794499
(1)
|
2 / 0 |
| P06746 | DNA polymerase beta | Enzyme | CHEMBL1419012 |
CHEMBL1614079
(1)
|
0 / 0 |
| P42574 | Caspase-3 | C14 | CHEMBL1221986 |
CHEMBL2050968
(1)
CHEMBL2050969
(1)
CHEMBL2050970 (1) CHEMBL2050971 (1) CHEMBL2050973 (1) |
0 / 0 |
| P28482 | Mitogen-activated protein kinase 1 | Erk | CHEMBL1221986 |
CHEMBL1228517
(1)
CHEMBL1228518
(1)
CHEMBL1228519 (1) CHEMBL1228520 (1) CHEMBL1228521 (1) CHEMBL1228522 (1) CHEMBL1228523 (1) CHEMBL1228524 (1) |
0 / 0 |
| P27361 | Mitogen-activated protein kinase 3 | Erk | CHEMBL1221986 |
CHEMBL1228517
(1)
CHEMBL1228518
(1)
CHEMBL1228519 (1) CHEMBL1228520 (1) CHEMBL1228521 (1) CHEMBL1228522 (1) CHEMBL1228523 (1) CHEMBL1228524 (1) |
0 / 0 |
| P11473 | Vitamin D3 receptor | NR1I1 | CHEMBL1419012 |
CHEMBL1794311
(1)
CHEMBL1963865
(1)
CHEMBL1963915 (1) CHEMBL1963934 (1) CHEMBL1963947 (1) |
2 / 3 |
| P42858 | Huntingtin | Unclassified protein | CHEMBL1419012 |
CHEMBL1613918
(1)
|
1 / 1 |
| P84022 | Mothers against decapentaplegic homolog 3 | Unclassified protein | CHEMBL1419012 |
CHEMBL1794584
(1)
|
2 / 0 |
| O75496 | Geminin | Unclassified protein | CHEMBL1419012 |
CHEMBL2114843
(1)
CHEMBL2114780
(1)
|
0 / 0 |
| P51151 | Ras-related protein Rab-9A | Unclassified protein | CHEMBL1419012 |
CHEMBL1613838
(1)
|
0 / 0 |
| P32245 | Melanocortin receptor 4 | Melanocortin receptor | CHEMBL1419012 |
CHEMBL1963846
(1)
|
1 / 0 |
| Q9Y253 | DNA polymerase eta | Enzyme | CHEMBL1419012 |
CHEMBL1794569
(1)
|
1 / 1 |
| P07355 | Annexin A2 | Unclassified protein | CHEMBL1221986 |
CHEMBL1226148
(1)
CHEMBL1226149
(1)
CHEMBL1226150 (1) CHEMBL1226151 (1) CHEMBL1226152 (1) CHEMBL1226153 (1) CHEMBL1226159 (1) CHEMBL1226160 (1) |
0 / 0 |
| O15118 | Niemann-Pick C1 protein | Unclassified protein | CHEMBL1419012 |
CHEMBL1614342
(1)
|
1 / 1 |
| Q96QE3 | ATPase family AAA domain-containing protein 5 | Unclassified protein | CHEMBL1419012 |
CHEMBL1738588
(1)
CHEMBL1738317
(1)
|
0 / 0 |
| P31749 | RAC-alpha serine/threonine-protein kinase | Akt | CHEMBL1221986 |
CHEMBL1229006
(1)
CHEMBL1229007
(1)
CHEMBL1229008 (1) CHEMBL1229009 (1) CHEMBL1229010 (1) CHEMBL1228513 (1) CHEMBL1228514 (1) CHEMBL1228515 (1) CHEMBL1228516 (1) |
4 / 1 |
| Q9UNA4 | DNA polymerase iota | Enzyme | CHEMBL1419012 |
CHEMBL1794483
(1)
|
0 / 0 |
| Q6W5P4 | Neuropeptide S receptor | Neuropeptide receptor | CHEMBL1419012 |
CHEMBL1614052
(1)
|
1 / 0 |
| P27695 | DNA-(apurinic or apyrimidinic site) lyase | Enzyme | CHEMBL1419012 |
CHEMBL1614211
(1)
|
0 / 0 |
| P10636 | Microtubule-associated protein tau | Unclassified protein | CHEMBL1419012 |
CHEMBL1614421
(1)
|
4 / 3 |
| Q16236 | Nuclear factor erythroid 2-related factor 2 | Unclassified protein | CHEMBL1419012 |
CHEMBL1738184
(1)
|
0 / 0 |
| P11142 | Heat shock cognate 71 kDa protein | Unclassified protein | CHEMBL1221986 |
CHEMBL1226138
(1)
|
0 / 0 |
| O75874 | Isocitrate dehydrogenase [NADP] cytoplasmic | Enzyme | CHEMBL1419012 |
CHEMBL2354311
(1)
|
1 / 0 |
| P01215 | Glycoprotein hormones alpha chain | Unclassified protein | CHEMBL1419012 |
CHEMBL2114913
(1)
|
0 / 3 |
| Q14191 | Werner syndrome ATP-dependent helicase | Enzyme | CHEMBL1419012 |
CHEMBL2114796
(1)
|
2 / 1 |
CTD interaction (12)
| compound | gene | gene name | gene description | interaction | interaction type | form |
reference
pmid |
|---|---|---|---|---|---|---|---|
| C009684 | 468 |
ATF4
CREB-2 CREB2 TAXREB67 TXREB |
activating transcription factor 4 | Acetylcysteine inhibits the reaction [withaferin A results in increased expression of ATF4 protein] |
decreases reaction
/ increases expression |
protein |
21266191
|
| C009684 | 468 |
ATF4
CREB-2 CREB2 TAXREB67 TXREB |
activating transcription factor 4 | withaferin A results in increased expression of ATF4 protein |
increases expression
|
protein |
21266191
|
| C009684 | 596 |
BCL2
Bcl-2 PPP1R50 |
B-cell CLL/lymphoma 2 | withaferin A results in decreased expression of BCL2 protein |
decreases expression
|
protein |
21256832
21964475 |
| C009684 | 1649 |
DDIT3
CEBPZ CHOP CHOP-10 CHOP10 GADD153 |
DNA-damage-inducible transcript 3 | Acetylcysteine inhibits the reaction [withaferin A results in increased expression of DDIT3 protein] |
decreases reaction
/ increases expression |
protein |
21266191
|
| C009684 | 1649 |
DDIT3
CEBPZ CHOP CHOP-10 CHOP10 GADD153 |
DNA-damage-inducible transcript 3 | DDIT3 mRNA affects the susceptibility to withaferin A |
affects response to substance
|
mRNA |
21266191
|
| C009684 | 1649 |
DDIT3
CEBPZ CHOP CHOP-10 CHOP10 GADD153 |
DNA-damage-inducible transcript 3 | withaferin A results in increased expression of DDIT3 protein |
increases expression
|
protein |
21266191
|
| C009684 | 54541 |
DDIT4
Dig2 REDD-1 REDD1 |
DNA-damage-inducible transcript 4 | Acetylcysteine inhibits the reaction [withaferin A results in increased expression of DDIT4 protein] |
decreases reaction
/ increases expression |
protein |
21266191
|
| C009684 | 54541 |
DDIT4
Dig2 REDD-1 REDD1 |
DNA-damage-inducible transcript 4 | withaferin A results in increased expression of DDIT4 protein |
increases expression
|
protein |
21266191
|
| C009684 | 83939 |
EIF2A
EIF-2A MST089 MSTP004 MSTP089 |
eukaryotic translation initiation factor 2A, 65kDa | withaferin A results in increased phosphorylation of EIF2A protein |
increases phosphorylation
|
protein |
21266191
|
| C009684 | 5599 |
MAPK8
JNK JNK-46 JNK1 JNK1A2 JNK21B1/2 PRKM8 SAPK1 SAPK1c |
mitogen-activated protein kinase 8 (EC:2.7.11.24) | withaferin A results in increased phosphorylation of MAPK8 protein |
increases phosphorylation
|
protein |
21964475
|
| C009684 | 7494 |
XBP1
TREB5 XBP-1 XBP2 |
X-box binding protein 1 | withaferin A results in increased expression of XBP1 protein |
increases expression
|
protein |
21266191
|
| C009684 | 7494 |
XBP1
TREB5 XBP-1 XBP2 |
X-box binding protein 1 | withaferin A results in increased splicing of XBP1 mRNA |
increases splicing
|
mRNA |
21266191
|
Related Disease
Diseases related to proteins in ChEMBL interactions
OMIM (22)
| 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 DISEASE (15)
| KEGG | disease 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)
|