acompound

Showing entry for Apiole

General Compound Information
BXGC Id	BXGC0005696
Compound Name	Apiole
Structure
Formula	C12H14O4
InchiKey	QQRSPHJOOXUALR-UHFFFAOYSA-N
SMILES	COC1=C2OCOC2=C(OC)C(CC=C)=C1
Inchi	InChI=1S/C12H14O4/c1-4-5-8-6-9(13-2)11-12(10(8)14-3)16-7-15-11/h4,6H,1,5,7H2,2-3H3
IUPAC	4,7-dimethoxy-5-(prop-2-en-1-yl)-2H-1,3-benzodioxole
Molecular Weight	222.24
Pubchem Id	10659
Chembl Id	CHEMBL1560118

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

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

CHEMBL1560118

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
P51450	BXGT010847	Nuclear receptor ROR-gamma	reviewed	-	Rorc	Potency	'='	2818	nM
O94782	BXGT005332	Ubiquitin carboxyl-terminal hydrolase 1	reviewed	Enzyme	USP1	Potency	-	100000	nM
P16050	BXGT008184	Arachidonate 15-lipoxygenase	reviewed	Enzyme	ALOX15	Potency	'='	3981	nM
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Potency	'='	7943	nM
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	213	%
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	107	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00013	Dill	Anethum graveolens	Herbs and Spices
BXGF00015	Wild celery	Apium graveolens	Herbs and Spices
BXGF00019	Tarragon	Artemisia dracunculus	Herbs and Spices
BXGF00038	Tea	Camellia sinensis	Teas
BXGF00072	Wild carrot	Daucus carota	Vegetables
BXGF00082	Fennel	Foeniculum vulgare	Herbs and Spices
BXGF00100	Lovage	Levisticum officinale	Herbs and Spices
BXGF00131	Parsley	Petroselinum crispum	Herbs and Spices
BXGF00183	Common thyme	Thymus vulgaris	Herbs and Spices
BXGF00818	Herbs and Spices		Herbs and Spices
BXGF01301	Vepris nobilis	Vepris nobilis	Medicinal Plant
BXGF01386	Asarum heterotropoides	Asarum heterotropoides	Others
BXGF01506	Thymus quinquecostatus	Thymus quinquecostatus	Medicinal Plant
BXGF01540	Rhodomyrtus tomentosa	Rhodomyrtus tomentosa	Medicinal Plant
BXGF02100	Convallaria majalis	Convallaria majalis	Medicinal Plant
BXGF02513	Rabdosia angustifolia	Rabdosia angustifolia	Others
BXGF02631	Solanum torvum	Solanum torvum	Medicinal Plant
BXGF02737	Artemisia scoparia	Artemisia scoparia	Medicinal Plant
BXGF02967	Palicourea alpina	Palicourea alpina	Others
BXGF02982	Lupinus formosus	Lupinus formosus	Others
BXGF02995	Wunderlichia mirabilis	Wunderlichia mirabilis	Others
BXGF03010	Posoqueria latifolia	Posoqueria latifolia	Human Edible Plant
BXGF03026	Dicliptera riparia	Dicliptera riparia	Medicinal Plant
BXGF03036	Oxandra xylopioides	Oxandra xylopioides	Others
BXGF03091	Ilex kaushue	Ilex kaushue	Human Edible Plant
BXGF03116	Dalbergia frutescens	Dalbergia frutescens	Others
BXGF03128	Colchicum macedonicum	Colchicum macedonicum	Others
BXGF03137	Euphorbia caducifolia	Euphorbia caducifolia	Medicinal Plant
BXGF03145	Boronia muelleri	Boronia muelleri	Others
BXGF03169	Coprosma acerosa	Coprosma acerosa	Medicinal Plant
BXGF03183	Astilbe koreana	Astilbe koreana	Others
BXGF03211	Scrophularia smithii	Scrophularia smithii	Others
BXGF03288	Smilax bracteata	Smilax bracteata	Medicinal Plant
BXGF03302	Hypericum papuanum	Hypericum papuanum	Medicinal Plant
BXGF03329	Zilla spinosa	Zilla spinosa	Medicinal Plant
BXGF03380	Kaunia arbuscularis	Kaunia arbuscularis	Others
BXGF03397	Trifolium pratense	Trifolium pratense	Medicinal Plant
BXGF03425	Sambucus ebulus	Sambucus ebulus	Medicinal Plant
BXGF03441	Inula thapsoides	Inula thapsoides	Others
BXGF03453	Tylophora flava	Tylophora flava	Others
BXGF03474	Limeum pterocarpum	Limeum pterocarpum	Others
BXGF03489	Trifolium alexandrium	Trifolium alexandrium	Medicinal Plant
BXGF03498	Coptis deltoidea	Coptis deltoidea	Medicinal Plant
BXGF03517	Cassia carnaval	Cassia carnaval	Others
BXGF03537	Salix sieboldiana	Salix sieboldiana	Others
BXGF03664	Tynanthus panurensis	Tynanthus panurensis	Others
BXGF03735	Hansenia weberbaueriana	Hansenia weberbaueriana	Others
BXGF03868	Dillenia papuana	Dillenia papuana	Others
BXGF03961	Scutellaria sieberi	Scutellaria sieberi	Others
BXGF04026	Christisonia bicolor	Christisonia bicolor	Others
BXGF04149	Atroxima liberica	Atroxima liberica	Others
BXGF04227	Linum crispum	Linum crispum	Others
BXGF04249	Palafoxia texana	Palafoxia texana	Others
BXGF04341	Sanguisorba officinalis	Sanguisorba officinalis	Medicinal Plant
BXGF04855	Cranfillia vulcanica	Cranfillia vulcanica	Others
BXGF05336	Tanacetum santolinoides	Tanacetum santolinoides	Human Edible Plant
BXGF05338	Persicaria thunbergii	Persicaria thunbergii	Medicinal Plant
BXGF05420	Lawsonia inermis	Lawsonia inermis	Medicinal Plant
BXGF05702	Cinnamomum camphora	Cinnamomum camphora	Medicinal Plant
BXGF05711	Bergenia crassifolia	Bergenia crassifolia	Medicinal Plant
BXGF05738	Salvia xalapensis	Salvia xalapensis	Others
BXGF06003	Pseudocinchona pachyceras	Pseudocinchona pachyceras	Others
BXGF06053	Ficus elastica	Ficus elastica	Medicinal Plant
BXGF06070	Perilla frutescens	Perilla frutescens	Medicinal Plant
BXGF06080	Licaria brasiliensis	Licaria brasiliensis	Others
BXGF06102	Crotalaria orixensis	Crotalaria orixensis	Human Edible 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}