acompound

Showing entry for Anethole

General Compound Information
BXGC Id	BXGC0053908
Compound Name	Anethole
Structure
Formula	C10H12O
InchiKey	RUVINXPYWBROJD-ONEGZZNKSA-N
SMILES	C/C=C/c1ccc(cc1)OC
Inchi	InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3+
IUPAC	1-methoxy-4-[(E)-prop-1-enyl]benzene
Molecular Weight	148.09
Pubchem Id	637563
Chembl Id	CHEMBL452630

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

CHEMBL452630

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
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	124	%
B2RXH2	BXGT002006	Lysine-specific demethylase 4E	reviewed	-	KDM4E	Potency	'='	35481	nM
P14780	BXGT008053	Matrix metalloproteinase-9	reviewed	Enzyme	MMP9	Inhibition	-	-	-
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Inhibition	-	-	-
P00352	BXGT005510	Retinal dehydrogenase 1	reviewed	Enzyme	ALDH1A1	Potency	'='	39810	nM
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	89	%
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Ki	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00011	Cashew nut	Anacardium occidentale	Nuts
BXGF00050	Chinese cinnamon	Cinnamomum aromaticum	Herbs and Spices
BXGF00061	Coriander	Coriandrum sativum	Herbs and Spices
BXGF00082	Fennel	Foeniculum vulgare	Herbs and Spices
BXGF00090	Star anise	Illicium verum	Herbs and Spices
BXGF00119	Sweet basil	Ocimum basilicum	Herbs and Spices
BXGF00179	Cloves	Syzygium aromaticum	Herbs and Spices
BXGF00995	Dalbergia rubiginosa	Dalbergia rubiginosa	Others
BXGF01081	Akebia trifoliata	Akebia trifoliata	Medicinal Plant
BXGF01134	Arnebia euchroma	Arnebia euchroma	Medicinal Plant
BXGF01230	Lithospermum erythrorhizon	Lithospermum erythrorhizon	Medicinal Plant
BXGF01324	Albizia julibrissin	Albizia julibrissin	Medicinal Plant
BXGF01386	Asarum heterotropoides	Asarum heterotropoides	Others
BXGF01408	Flemingia prostrata roxb	Flemingia prostrata roxb	Others
BXGF01426	Cornus officinalis	Cornus officinalis	Medicinal Plant
BXGF01451	Mesembryanthemum tortuosum	Mesembryanthemum tortuosum	Medicinal Plant
BXGF01733	Caryopteris mongholica	Caryopteris mongholica	Others
BXGF01743	Uncaria macrophylla	Uncaria macrophylla	Medicinal Plant
BXGF01767	Uncaria rhynchophylla	Uncaria rhynchophylla	Medicinal Plant
BXGF01804	Euphorbia kansui	Euphorbia kansui	Medicinal Plant
BXGF02004	Magnolia salicifolia	Magnolia salicifolia	Medicinal Plant
BXGF02024	Actaea dahurica	Actaea dahurica	Human Edible Plant
BXGF02131	Glycyrrhiza	Glycyrrhiza	Medicinal Plant
BXGF02143	Actaea cimicifuga	Actaea cimicifuga	Medicinal Plant
BXGF02167	Scutellaria barbata	Scutellaria barbata	Medicinal Plant
BXGF02200	Mappia foetida	Mappia foetida	Medicinal Plant
BXGF02381	Glycyrrhiza inflata	Glycyrrhiza inflata	Medicinal Plant
BXGF02604	Agrimonia pilosa	Agrimonia pilosa	Medicinal Plant
BXGF02616	Curcuma phaeocaulis	Curcuma phaeocaulis	Others
BXGF02673	Satureja atropatana	Satureja atropatana	Others
BXGF02927	Akebia quinata	Akebia quinata	Medicinal Plant
BXGF03053	Arnebia guttata	Arnebia guttata	Medicinal Plant
BXGF03536	Curcuma kwangsiensis	Curcuma kwangsiensis	Medicinal Plant
BXGF03554	Kaempferia galanga	Kaempferia galanga	Medicinal Plant
BXGF04062	Spatholobus suberectus	Spatholobus suberectus	Medicinal Plant
BXGF04109	Saussurea costus	Saussurea costus	Medicinal Plant
BXGF04173	Curcuma wenyujin	Curcuma wenyujin	Others
BXGF04217	Agastache rugosa	Agastache rugosa	Medicinal Plant
BXGF04402	Actaea simplex	Actaea simplex	Others
BXGF04605	Senna alexandrina	Senna alexandrina	Medicinal Plant
BXGF04713	Aster tataricus	Aster tataricus	Medicinal Plant
BXGF04814	Clausena anisata	Clausena anisata	Medicinal Plant
BXGF04864	Uncaria sinensis	Uncaria sinensis	Medicinal Plant
BXGF04872	Glycyrrhiza glabra	Glycyrrhiza glabra	Medicinal Plant
BXGF04889	Pogostemon cablin	Pogostemon cablin	Medicinal Plant
BXGF04972	Eugenia caryopyhllata	Eugenia caryopyhllata	Others
BXGF05011	Artemisia capillaries	Artemisia capillaries	Others
BXGF05330	Arum ternatum thunb	Arum ternatum thunb	Others
BXGF05442	Zanthoxylum bungeanum	Zanthoxylum bungeanum	Medicinal Plant
BXGF05497	Eupatorium fortunei turcz	Eupatorium fortunei turcz	Others
BXGF05555	Anchusa officinalis	Anchusa officinalis	Medicinal Plant
BXGF05681	Clematis chinensis	Clematis chinensis	Medicinal Plant
BXGF05790	Glycyrrhiza uralensis	Glycyrrhiza uralensis	Medicinal Plant
BXGF05934	Curcuma zedoaria	Curcuma zedoaria	Medicinal Plant
BXGF06075	Zanthoxylum schinifolium	Zanthoxylum schinifolium	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}