PCIDB

KNApSAcK Metabolite C00029531

Metabolite

KNApSAcK Entry

id C00029531
Name Vanillic aldehyde / 4-Hydroxy-3-methoxybenzaldehyde
CAS RN 121-33-5
Standard InChI InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3
Standard InChI (Main Layer) InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3

Cluster

Phytochemical cluster
KCF-S cluster No. 1003

Link

ChEMBL

By standard InChI CHEMBL13883
By standard InChI Main Layer CHEMBL13883

KEGG

By LinkDB C00755

CTD

By CAS RN C100058

Human Protein / Gene in interaction

18 ChEMBL Protein in interactions

accession description class description compound assay ID (# of activities) # of diseases
(OMIM / KEGG)
Q9HAW8 UDP-glucuronosyltransferase 1-10 Enzyme CHEMBL13883 CHEMBL1908087 (1)
0 / 0
P78527 DNA-dependent protein kinase catalytic subunit Atypical serine/threonine protein kinase PIKK subfamily CHEMBL13883 CHEMBL2183420 (1)
0 / 0
P19793 Retinoic acid receptor RXR-alpha NR2B1 CHEMBL13883 CHEMBL1794371 (1)
0 / 0
P51649 Succinate-semialdehyde dehydrogenase, mitochondrial Oxidoreductase CHEMBL13883 CHEMBL867028 (1)
1 / 1
P34969 5-hydroxytryptamine receptor 7 Serotonin receptor CHEMBL13883 CHEMBL977664 (1)
0 / 0
Q9HAW7 UDP-glucuronosyltransferase 1-7 Enzyme CHEMBL13883 CHEMBL1908084 (1)
0 / 0
P00352 Retinal dehydrogenase 1 Enzyme CHEMBL13883 CHEMBL1614458 (2)
0 / 0
O60656 UDP-glucuronosyltransferase 1-9 Enzyme CHEMBL13883 CHEMBL1908086 (1)
0 / 0
O00519 Fatty-acid amide hydrolase 1 Enzyme CHEMBL13883 CHEMBL1099470 (1)
0 / 0
P80404 4-aminobutyrate aminotransferase, mitochondrial Transferase CHEMBL13883 CHEMBL867027 (1)
1 / 1
Q96RI1 Bile acid receptor NR1H4 CHEMBL13883 CHEMBL1794437 (1)
0 / 0
P15428 15-hydroxyprostaglandin dehydrogenase [NAD(+)] Enzyme CHEMBL13883 CHEMBL1614038 (1)
2 / 2
Q9Y4X1 UDP-glucuronosyltransferase 2A1 Enzyme CHEMBL13883 CHEMBL1908088 (1)
0 / 0
P19224 UDP-glucuronosyltransferase 1-6 Enzyme CHEMBL13883 CHEMBL1908083 (1)
0 / 0
Q16236 Nuclear factor erythroid 2-related factor 2 Unclassified protein CHEMBL13883 CHEMBL2114890 (1)
0 / 0
P10275 Androgen receptor NR3C4 CHEMBL13883 CHEMBL1794321 (1)
3 / 4
Q9NUW8 Tyrosyl-DNA phosphodiesterase 1 Enzyme CHEMBL13883 CHEMBL1614364 (1)
1 / 1
O94925 Glutaminase kidney isoform, mitochondrial Enzyme CHEMBL13883 CHEMBL2114738 (1)
0 / 0

CTD interaction (33)

compound gene gene name gene description interaction interaction type form reference
pmid
C100058 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) vanillin results in increased expression of AKR1C2 mRNA increases expression
mRNA 20491607
C100058 759 CA1
CA-I
CAB
Car1
carbonic anhydrase I (EC:4.2.1.1) vanillin results in decreased activity of CA1 protein decreases activity
protein 19231207
C100058 760 CA2
CA-II
CAC
CAII
Car2
carbonic anhydrase II (EC:4.2.1.1) vanillin results in decreased activity of CA2 protein decreases activity
protein 19231207
C100058 1196 CLK2
hCLK2
CDC-like kinase 2 (EC:2.7.12.1) vanillin results in increased expression of CLK2 mRNA increases expression
mRNA 17178418
C100058 1490 CTGF
CCN2
HCS24
IGFBP8
NOV2
connective tissue growth factor vanillin results in decreased expression of CTGF mRNA decreases expression
mRNA 17178418
C100058 1543 CYP1A1
AHH
AHRR
CP11
CYP1
P1-450
P450-C
P450DX
cytochrome P450, family 1, subfamily A, polypeptide 1 (EC:1.14.14.1) vanillin results in increased expression of CYP1A1 mRNA increases expression
mRNA 20491607
C100058 54541 DDIT4
Dig2
REDD-1
REDD1
DNA-damage-inducible transcript 4 vanillin results in increased expression of DDIT4 mRNA increases expression
mRNA 17178418
C100058 1789 DNMT3B
ICF
ICF1
M.HsaIIIB
DNA (cytosine-5-)-methyltransferase 3 beta (EC:2.1.1.37) vanillin results in decreased expression of DNMT3B mRNA decreases expression
mRNA 17178418
C100058 1848 DUSP6
HH19
MKP3
PYST1
dual specificity phosphatase 6 (EC:3.1.3.16 3.1.3.48) vanillin results in decreased expression of DUSP6 mRNA decreases expression
mRNA 17178418
C100058 2263 FGFR2
BBDS
BEK
BFR-1
CD332
CEK3
CFD1
ECT1
JWS
K-SAM
KGFR
TK14
TK25
fibroblast growth factor receptor 2 (EC:2.7.10.1) vanillin results in decreased expression of FGFR2 mRNA decreases expression
mRNA 17178418
C100058 2535 FZD2
Fz2
fz-2
fzE2
hFz2
frizzled family receptor 2 vanillin results in decreased expression of FZD2 mRNA decreases expression
mRNA 17178418
C100058 2729 GCLC
GCL
GCS
GLCL
GLCLC
glutamate-cysteine ligase, catalytic subunit (EC:6.3.2.2) vanillin results in increased expression of GCLC mRNA increases expression
mRNA 17178418
C100058 2730 GCLM
GLCLR
glutamate-cysteine ligase, modifier subunit (EC:6.3.2.2) vanillin results in increased expression of GCLM mRNA increases expression
mRNA 17178418
C100058 3162 HMOX1
HMOX1D
HO-1
HSP32
bK286B10
heme oxygenase (decycling) 1 (EC:1.14.99.3) vanillin results in increased expression of HMOX1 mRNA increases expression
mRNA 17178418
C100058 3251 HPRT1
HGPRT
HPRT
hypoxanthine phosphoribosyltransferase 1 (EC:2.4.2.8) vanillin results in decreased mutagenesis of HPRT1 gene decreases mutagenesis
gene 17178418
C100058 3304 HSPA1B
HSP70-1B
HSP70-2
heat shock 70kDa protein 1B vanillin results in increased expression of HSPA1B mRNA increases expression
mRNA 17178418
C100058 3576 IL8
CXCL8
GCP-1
GCP1
LECT
LUCT
LYNAP
MDNCF
MONAP
NAF
NAP-1
NAP1
interleukin 8 vanillin results in increased expression of IL8 mRNA increases expression
mRNA 20491607
21920952
C100058 3638 INSIG1
CL-6
CL6
insulin induced gene 1 vanillin results in decreased expression of INSIG1 mRNA decreases expression
mRNA 17178418
C100058 3727 JUND
AP-1
jun D proto-oncogene vanillin results in decreased expression of JUND mRNA decreases expression
mRNA 17178418
C100058 5605 MAP2K2
CFC4
MAPKK2
MEK2
MKK2
PRKMK2
mitogen-activated protein kinase kinase 2 (EC:2.7.12.2) vanillin results in decreased expression of MAP2K2 mRNA decreases expression
mRNA 17178418
C100058 57787 MARK4
MARK4L
MARK4S
MARKL1
MARKL1L
PAR-1D
MAP/microtubule affinity-regulating kinase 4 (EC:2.7.11.1) vanillin results in decreased expression of MARK4 mRNA decreases expression
mRNA 17178418
C100058 4502 MT2A
MT2
metallothionein 2A vanillin results in increased expression of MT2A mRNA increases expression
mRNA 20491607
C100058 5514 PPP1R10
CAT53
FB19
PNUTS
PP1R10
R111
p99
protein phosphatase 1, regulatory subunit 10 vanillin results in decreased expression of PPP1R10 mRNA decreases expression
mRNA 17178418
C100058 11046 SLC35D2
HFRC1
SQV7L
UGTrel8
hfrc
solute carrier family 35 (UDP-GlcNAc/UDP-glucose transporter), member D2 vanillin results in decreased expression of SLC35D2 mRNA decreases expression
mRNA 17178418
C100058 23657 SLC7A11
CCBR1
xCT
solute carrier family 7 (anionic amino acid transporter light chain, xc- system), member 11 vanillin results in increased expression of SLC7A11 mRNA increases expression
mRNA 17178418
C100058 7041 TGFB1I1
ARA55
HIC-5
HIC5
TSC-5
transforming growth factor beta 1 induced transcript 1 vanillin results in decreased expression of TGFB1I1 mRNA decreases expression
mRNA 17178418
C100058 7157 TP53
BCC7
LFS1
P53
TRP53
tumor protein p53 vanillin results in decreased expression of TP53 mRNA decreases expression
mRNA 17178418
C100058 10626 TRIM16
EBBP
tripartite motif containing 16 vanillin results in increased expression of TRIM16 mRNA increases expression
mRNA 17178418
C100058 7360 UGP2
UDPG
UDPGP
UDPGP2
UGP1
UGPP1
UGPP2
pHC379
UDP-glucose pyrophosphorylase 2 (EC:2.7.7.9) vanillin results in increased expression of UGP2 mRNA increases expression
mRNA 17178418
C100058 54575 UGT1A10
UDPGT
UGT-1J
UGT1-10
UGT1.10
UGT1J
UDP glucuronosyltransferase 1 family, polypeptide A10 (EC:2.4.1.17) UGT1A10 protein results in increased glucuronidation of vanillin increases glucuronidation
protein 15117964
C100058 54659 UGT1A3
UDPGT
UDPGT_1-3
UGT-1C
UGT1-03
UGT1.3
UGT1C
UDP glucuronosyltransferase 1 family, polypeptide A3 (EC:2.4.1.17) UGT1A3 protein results in increased glucuronidation of vanillin increases glucuronidation
protein 15117964
C100058 54577 UGT1A7
UDPGT
UDPGT_1-7
UGT-1G
UGT1-07
UGT1.7
UGT1G
UDP glucuronosyltransferase 1 family, polypeptide A7 (EC:2.4.1.17) UGT1A7 protein results in increased glucuronidation of vanillin increases glucuronidation
protein 15117964
C100058 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) UGT1A8 protein results in increased glucuronidation of vanillin increases glucuronidation
protein 15117964

Related Disease

Diseases related to proteins in ChEMBL interactions

OMIM (8)

OMIM preferred title UniProt
#300068 Androgen insensitivity syndrome; ais P10275
#312300 Androgen insensitivity, partial; pais P10275
#119900 Digital clubbing, isolated congenital P15428
#613163 Gaba-transaminase deficiency P80404
#259100 Hypertrophic osteoarthropathy, primary, autosomal recessive, 1; phoar1 P15428
#313200 Spinal and bulbar muscular atrophy, x-linked 1; smax1 P10275
#607250 Spinocerebellar ataxia, autosomal recessive, with axonal neuropathy; scan1 Q9NUW8
#271980 Succinic semialdehyde dehydrogenase deficiency; ssadhd P51649

KEGG DISEASE (9)

KEGG disease name UniProt
H00024 Prostate cancer P10275 (related)
H00062 Spinal and bulbar muscular atrophy (SBMA) P10275 (related)
H00608 46,XY disorders of sex development (Disorders in androgen synthesis or action) P10275 (related)
H00609 46,XY disorders of sex development (Other) P10275 (related)
H00457 Primary hypertrophic osteoarthropathy (PHO) P15428 (related)
H01246 Isolated congenital nail clubbing (ICNC) P15428 (related)
H00835 Succinic semialdehyde dehydrogenase (SSADH) deficiency P51649 (related)
H01257 GABA-transaminase deficiency P80404 (related)
H00063 Spinocerebellar ataxia (SCA) Q9NUW8 (related)

Diseases related to CTD interactions

1 disease from interactions of metabolites

MeSH disease OMIM compound disease name evidence type reference
pmid
D008113 C100058 Liver Neoplasms therapeutic
7852184