acompound

Showing entry for Isovanillin

General Compound Information
BXGC Id	BXGC0014736
Compound Name	Isovanillin
Structure
Formula	C8H8O3
InchiKey	JVTZFYYHCGSXJV-UHFFFAOYSA-N
SMILES	O=Cc1ccc(c(c1)O)OC
Inchi	InChI=1S/C8H8O3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-5,10H,1H3
IUPAC	3-hydroxy-4-methoxybenzaldehyde
Molecular Weight	152.05
Pubchem Id	12127
Chembl Id	CHEMBL275563

Targets of Information Source

DrugBank

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type

PDB

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1

Binding DB

50240367

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
reviewed	BXGT010602	Xanthine dehydrogenase/oxidase	reviewed	Enzyme	XDH	-	>50000	-	-
reviewed	BXGT012869	Aldehyde oxidase	reviewed	Enzyme	AOX1	-	15000	-	-

CHEMBL

CHEMBL275563

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	width="10%">Type	Relation	value	Units
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Type	Relation	value	Units
P63092	BXGT011495	Guanine nucleotide-binding protein G(s) subunit alpha isoforms short	reviewed	-	GNAS	Potency	-	50118	nM
Q06278	BXGT012869	Aldehyde oxidase	reviewed	Enzyme	AOX1	IC50	'='	15000	nM
O95149	BXGT005350	Snurportin-1	reviewed	-	SNUPN	Potency	-	50118	nM
Q14974	BXGT013516	Importin subunit beta-1	reviewed	Transporter	KPNB1	Potency	-	50118	nM
P22734	BXGT008799	Catechol O-methyltransferase	reviewed	-	Comt	Inhibition	-	-	-
Q9UNA4	BXGT021785	DNA polymerase iota	reviewed	-	POLI	Potency	-	89125	nM
P00352	BXGT005510	Retinal dehydrogenase 1	reviewed	Enzyme	ALDH1A1	Potency	'='	17782	nM
P83916	BXGT012025	Chromobox protein homolog 1	reviewed	Epigenetic regulator	CBX1	Potency	-	100000	nM
P47989	BXGT010602	Xanthine dehydrogenase/oxidase	reviewed	Enzyme	XDH	IC50	'>'	50000	nM
P05164	BXGT006333	Myeloperoxidase	reviewed	Enzyme	MPO	Inhibition	-	-	-
P27695	BXGT009199	DNA-(apurinic or apyrimidinic site) lyase	reviewed	-	APEX1	Potency	-	8912	nM
O94925	BXGT005342	Glutaminase kidney isoform, mitochondrial	reviewed	Enzyme	GLS	Potency	-	35481	nM
O42713	BXGT004563	Polyphenol oxidase 2	reviewed	-	PPO2	Inhibition	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00206	Ginger	Zingiber officinale	Herbs and Spices
BXGF00301	Cherimoya	Annona cherimola	Fruits
BXGF01060	Baccharis grandicapitulata	Baccharis grandicapitulata	Others
BXGF01079	Renealmia alpinia	Renealmia alpinia	Human Edible Plant
BXGF01207	Morella pensylvanica	Morella pensylvanica	Others
BXGF01230	Lithospermum erythrorhizon	Lithospermum erythrorhizon	Medicinal Plant
BXGF01260	Eleutherococcus senticosus	Eleutherococcus senticosus	Medicinal Plant
BXGF01276	Delphinium giraldii	Delphinium giraldii	Medicinal Plant
BXGF01337	Stellaria media	Stellaria media	Medicinal Plant
BXGF01480	Periploca sepium	Periploca sepium	Medicinal Plant
BXGF01493	Curcuma aeruginosa	Curcuma aeruginosa	Medicinal Plant
BXGF01603	Piper brachystachyum	Piper brachystachyum	Medicinal Plant
BXGF01688	Tephroseris kirilowii	Tephroseris kirilowii	Medicinal Plant
BXGF01812	Physalis alkekengi	Physalis alkekengi	Medicinal Plant
BXGF01967	Senecio congestus	Senecio congestus	Medicinal Plant
BXGF02124	Papaver pseudocanescens	Papaver pseudocanescens	Others
BXGF02242	Sideritis dasygnaphala	Sideritis dasygnaphala	Others
BXGF02382	Gutierrezia dracunculoides	Gutierrezia dracunculoides	Others
BXGF02423	Psidium acutangulum	Psidium acutangulum	Human Edible Plant
BXGF02440	Beesia calthifolia	Beesia calthifolia	Others
BXGF02483	Bursera kerberi	Bursera kerberi	Others
BXGF02514	Helenium integrifolium	Helenium integrifolium	Others
BXGF02543	Rhododendron mucronulatum	Rhododendron mucronulatum	Medicinal Plant
BXGF02570	Euonymus fortunei	Euonymus fortunei	Medicinal Plant
BXGF02613	Phlomis crinita	Phlomis crinita	Medicinal Plant
BXGF02665	Crotalaria stolzii	Crotalaria stolzii	Others
BXGF02682	Selinum libanotis	Selinum libanotis	Others
BXGF02718	Melampodium leucanthum	Melampodium leucanthum	Others
BXGF02734	Clerodendrum trichotomum	Clerodendrum trichotomum	Medicinal Plant
BXGF02750	Juniperus scopulorum	Juniperus scopulorum	Medicinal Plant
BXGF02785	Clinacanthus nutans	Clinacanthus nutans	Medicinal Plant
BXGF02787	Melia azedarach	Melia azedarach	Medicinal Plant
BXGF02827	Alstonia angustiloba	Alstonia angustiloba	Others
BXGF02840	Lasianthaea podocephala	Lasianthaea podocephala	Others
BXGF02847	Podocarpus elongata	Podocarpus elongata	Others
BXGF02855	Eucalyptus albens	Eucalyptus albens	Others
BXGF02908	Pellacalyx axillaris	Pellacalyx axillaris	Others
BXGF02950	Boschniakia rossica	Boschniakia rossica	Medicinal Plant
BXGF03427	Phellodendron chinense	Phellodendron chinense	Medicinal Plant
BXGF03527	Alpinia oxyphylla	Alpinia oxyphylla	Medicinal Plant
BXGF03817	Coffea liberica var. dewevrei	Coffea liberica var. dewevrei	Medicinal Plant
BXGF03828	Phellodendron amurense	Phellodendron amurense	Medicinal Plant
BXGF03910	Polyalthia nemoralis	Polyalthia nemoralis	Medicinal Plant
BXGF04011	Botrychium ternatum	Botrychium ternatum	Medicinal Plant
BXGF04256	Phellodendron chinese	Phellodendron chinese	Others
BXGF04680	Eschweilera coriacea	Eschweilera coriacea	Human Edible Plant
BXGF04902	Lupinus cosentinii	Lupinus cosentinii	Others
BXGF05159	Eucalyptus cladocalyx	Eucalyptus cladocalyx	Medicinal Plant
BXGF05318	Hedysarum gmelini	Hedysarum gmelini	Others
BXGF05465	Euploca racemosa	Euploca racemosa	Others
BXGF05510	Ulva pertusa	Ulva pertusa	Medicinal Plant
BXGF05688	Salvadora persica	Salvadora persica	Medicinal Plant
BXGF06271	Artemisia pectinata	Artemisia pectinata	Others
BXGF06307	Zephyranthes flava	Zephyranthes flava	Others
BXGF06321	Peltodon longipes	Peltodon longipes	Others

The compound-realted diseases

Diseases

BXGD Id	Disease Name	CUI Disease Id	Disease Class Name	Number of targets^{?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease}