PCIDB

KNApSAcK Metabolite C00002683

Metabolite

KNApSAcK Entry

id C00002683
Name Vanillin
CAS RN 5463-22-9
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

Species

Summary

Plant class

class name count
rosids 13
asterids 10
Liliopsida 7
Magnoliophyta 7
Spermatophyta 3
eudicotyledons 3
Euphyllophyta 1

Family (Top 10)

family name count
Asteraceae 5
Lauraceae 4
Apiaceae 3
Myrtaceae 2
Aristolochiaceae 2
Rutaceae 2
Asparagaceae 2
Orchidaceae 2
Viscaceae 2
Amaranthaceae 1

List (44)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Aeschynanthus bracteatus 175969 Gesneriaceae asterids Viridiplantae
Angelica sinensis 165353 Apiaceae asterids Viridiplantae
Annona purpurea 1123437 Annonaceae Magnoliophyta Viridiplantae
Arabidopsis thaliana 3702 Brassicaceae rosids Viridiplantae
Aristolochia heterophylla Hemsl 12947 Aristolochiaceae Magnoliophyta Viridiplantae
Aristolochia pubescens 12947 Aristolochiaceae Magnoliophyta Viridiplantae
Asparagus spp. 4685 Asparagaceae Liliopsida Viridiplantae
Begonia nantoensis 78253 Begoniaceae rosids Viridiplantae
Beilschmiedia erythrophloia 88849 Lauraceae Magnoliophyta Viridiplantae
Beta spp. 3563 Amaranthaceae eudicotyledons Viridiplantae
Cassytha filiformis 121073 Lauraceae Magnoliophyta Viridiplantae
Chaerophyllum hirsutum 109101 Apiaceae asterids Viridiplantae
Chamaecyparis formosensis 187461 Cupressaceae Spermatophyta Viridiplantae
Cinnamomum subavenium MIQ. 977953 Lauraceae Magnoliophyta Viridiplantae
Curculigo capitulata 72645 Hypoxidaceae Liliopsida Viridiplantae
Dahlia spp. 4210 Asteraceae asterids Viridiplantae
Engelhardia roxburghiana 139932 Juglandaceae rosids Viridiplantae
Ferula assa-foetida 52471 Apiaceae asterids Viridiplantae
Gymnadenia spp. 59323 Orchidaceae Liliopsida Viridiplantae
Gynura elliptica 109564 Asteraceae asterids Viridiplantae
Hibiscus taiwanensis 47605 Malvaceae rosids Viridiplantae
Ligularia dentata Hara 4239 Asteraceae asterids Viridiplantae
Ligularia stenocephala Matsum.et Koidz. 4239 Asteraceae asterids Viridiplantae
Microtropis japonica 1089418 Celastraceae rosids Viridiplantae
Morinda citrifolia 43522 Rubiaceae asterids Viridiplantae
Phoebe formosana 128687 Lauraceae Magnoliophyta Viridiplantae
Phyllanthus oligospermus 586100 Phyllanthaceae rosids Viridiplantae
Pimenta dioica 375272 Myrtaceae rosids Viridiplantae
Posidonia oceanica 55489 Posidoniaceae Liliopsida Viridiplantae
Pseudotsuga wilsoniana 71408 Pinaceae Spermatophyta Viridiplantae
Rhus semialata 4012 Anacardiaceae rosids Viridiplantae
Ruta spp. 37564 Rutaceae rosids Viridiplantae
Spiraea spp. 23224 Rosaceae rosids Viridiplantae
Syzygium aromaticum 219868 Myrtaceae rosids Viridiplantae
Taraxacum formosanum 170733 Asteraceae asterids Viridiplantae
Taxus mairei 120273 Taxaceae Spermatophyta Viridiplantae
Tribulus terrestris 210369 Zygophyllaceae rosids Viridiplantae
Tupistra chinensis 100497 Asparagaceae Liliopsida Viridiplantae
Vanilla planifolia 51239 Orchidaceae Liliopsida Viridiplantae
Viscum articulactum 3971 Viscaceae eudicotyledons Viridiplantae
Viscum coloratum 3971 Viscaceae eudicotyledons Viridiplantae
Vittaria anguste-elongata 38724 Pteridaceae Euphyllophyta Viridiplantae
Zanthoxylum wutaiense 697043 Rutaceae rosids Viridiplantae
Zea mays L. 4577 Poaceae Liliopsida Viridiplantae

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

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)