acompound

Showing entry for Acetovanillone

General Compound Information
BXGC Id	BXGC0005791
Compound Name	Acetovanillone
Structure
Formula	C9H10O3
InchiKey	DFYRUELUNQRZTB-UHFFFAOYSA-N
SMILES	COC1=C(O)C=CC(=C1)C(C)=O
Inchi	InChI=1S/C9H10O3/c1-6(10)7-3-4-8(11)9(5-7)12-2/h3-5,11H,1-2H3
IUPAC	1-(4-hydroxy-3-methoxyphenyl)ethan-1-one
Molecular Weight	166.17
Pubchem Id	2214
Chembl Id	CHEMBL346919

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

I75

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
J9PBR2	BXGT003749	Small laccase, multi-copper oxidase	unreviewed		-	-	-	-	-

Binding DB

n.a

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

CHEMBL

CHEMBL346919

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
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	25929	nM
P83916	BXGT012025	Chromobox protein homolog 1	reviewed	Epigenetic regulator	CBX1	Potency	-	89125	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	3264	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
BXGF00006	Garden onion	Allium cepa	Vegetables
BXGF00163	Black raspberry	Rubus occidentalis	Fruits
BXGF00205	Corn	Zea mays	Cereals and cereal products
BXGF00206	Ginger	Zingiber officinale	Herbs and Spices
BXGF00877	Tripteris microcarpa	Tripteris microcarpa	Others
BXGF00949	Lupinus pilosus	Lupinus pilosus	Others
BXGF01036	Sargentodoxa cuneata	Sargentodoxa cuneata	Medicinal Plant
BXGF01055	Fabiana imbricata	Fabiana imbricata	Medicinal Plant
BXGF01132	Gossypium herbaceum	Gossypium herbaceum	Medicinal Plant
BXGF01194	Stellaria dichotoma	Stellaria dichotoma	Others
BXGF01234	Cylindropuntia leptocaulis	Cylindropuntia leptocaulis	Human Edible Plant
BXGF01451	Mesembryanthemum tortuosum	Mesembryanthemum tortuosum	Medicinal Plant
BXGF01837	Iris tectorum	Iris tectorum	Medicinal Plant
BXGF01891	Neopicrorhiza scrophulariiflora	Neopicrorhiza scrophulariiflora	Others
BXGF01998	Paeonia rockii	Paeonia rockii	Others
BXGF02028	Artemisia giraldii	Artemisia giraldii	Others
BXGF02076	Calystegia pubescens	Calystegia pubescens	Medicinal Plant
BXGF02207	Conocarpus erectus	Conocarpus erectus	Medicinal Plant
BXGF02885	Millettia pinnata	Millettia pinnata	Medicinal Plant
BXGF03247	Anastatica hierochuntica	Anastatica hierochuntica	Medicinal Plant
BXGF03682	Imperata cylindrica	Imperata cylindrica	Medicinal Plant
BXGF03779	Picea glauca	Picea glauca	Medicinal Plant
BXGF04003	Maackia floribunda	Maackia floribunda	Others
BXGF04495	Trichilia catigua	Trichilia catigua	Medicinal Plant
BXGF04512	Philadelphus coronarius	Philadelphus coronarius	Garden Plant
BXGF04517	Pterocarpus macrocarpus	Pterocarpus macrocarpus	Medicinal Plant
BXGF04520	Meliosma wightii	Meliosma wightii	Others
BXGF04525	Simaba cuneata	Simaba cuneata	Human Edible Plant
BXGF04545	Thalictrum podocarpum	Thalictrum podocarpum	Others
BXGF04572	Polygala fruticosa	Polygala fruticosa	Medicinal Plant
BXGF04582	Huperzia selago	Huperzia selago	Medicinal Plant
BXGF04593	Kielmeyera rubriflora	Kielmeyera rubriflora	Others
BXGF04613	Turbina corymbosa	Turbina corymbosa	Medicinal Plant
BXGF04615	Sorbaria arborea	Sorbaria arborea	Others
BXGF04620	Scandix pecten-veneris	Scandix pecten-veneris	Medicinal Plant
BXGF04625	Syzygium levinei	Syzygium levinei	Others
BXGF04632	Corydalis pallida	Corydalis pallida	Medicinal Plant
BXGF04641	Albizia procera	Albizia procera	Medicinal Plant
BXGF04644	Chasmanthera dependens	Chasmanthera dependens	Medicinal Plant
BXGF04654	Senecio miser	Senecio miser	Others
BXGF04658	Larix lyallii	Larix lyallii	Medicinal Plant
BXGF04662	Crepis czerepanovii	Crepis czerepanovii	Others
BXGF04666	Campanula hypopolia	Campanula hypopolia	Others
BXGF04673	Hymenoxys grandiflora	Hymenoxys grandiflora	Others
BXGF04678	Urginea riparia	Urginea riparia	Others
BXGF04691	Oroxylum indicum	Oroxylum indicum	Medicinal Plant
BXGF04694	Pteris pedata	Pteris pedata	Others
BXGF04706	Othonna tagetes	Othonna tagetes	Others
BXGF04710	Agave cocui	Agave cocui	Others
BXGF04793	Vincetoxicum atratum	Vincetoxicum atratum	Medicinal Plant
BXGF04908	Diospyros glaucifolia	Diospyros glaucifolia	Others
BXGF05028	Lampranthus sociorum	Lampranthus sociorum	Others
BXGF05085	Perymenium mendezii	Perymenium mendezii	Others
BXGF05186	Hortonia floribunda	Hortonia floribunda	Others
BXGF05202	Flemingia philippinensis	Flemingia philippinensis	Medicinal Plant
BXGF05219	Nauclea rhynchophylla	Nauclea rhynchophylla	Others
BXGF05229	Apocynum androsaemifolium	Apocynum androsaemifolium	Medicinal Plant
BXGF05297	Isatis tinctoria	Isatis tinctoria	Medicinal Plant
BXGF05495	Bursera tonkinensis	Bursera tonkinensis	Medicinal Plant
BXGF05569	Achlys triphylla	Achlys triphylla	Human Edible Plant
BXGF05577	Magnolia fraseri	Magnolia fraseri	Others
BXGF05731	Bulbophyllum protractum	Bulbophyllum protractum	Others
BXGF05747	Tarchonanthus camphoratus	Tarchonanthus camphoratus	Medicinal Plant
BXGF05791	Cypripedium calceolus	Cypripedium calceolus	Medicinal Plant
BXGF05902	Lactuca laciniata	Lactuca laciniata	Medicinal Plant
BXGF05946	Gypsophila licentiana hand.-mazz.	Gypsophila licentiana hand.-mazz.	Others
BXGF06019	Picrorhiza kurrooa	Picrorhiza kurrooa	Medicinal Plant
BXGF06029	Chiloscyphus rivularis	Chiloscyphus rivularis	Others
BXGF06182	Ventilago madraspatana	Ventilago madraspatana	Medicinal Plant
BXGF06306	Artemisia porrecta	Artemisia porrecta	Medicinal Plant

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}