acompound

Showing entry for Isoeugenol

General Compound Information
BXGC Id	BXGC0002011
Compound Name	Isoeugenol
Structure
Formula	C10H12O2
InchiKey	BJIOGJUNALELMI-ONEGZZNKSA-N
SMILES	COC1=CC(\C=C\C)=CC=C1O
Inchi	InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3/b4-3+
IUPAC	2-methoxy-4-[(1E)-prop-1-en-1-yl]phenol
Molecular Weight	164.2
Pubchem Id	853433
Chembl Id	CHEMBL193598

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

EUG

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
P56216	BXGT011152	Vanillyl-alcohol oxidase	reviewed	VAOA	-	-	-	-	-
P56216	BXGT011152	Vanillyl-alcohol oxidase	reviewed	VAOA	-	-	-	22000	-
P59071	BXGT011259	Basic phospholipase A2 VRV-PL-VIIIa	reviewed		-	-	-	-	-
P80025	BXGT011867	Lactoperoxidase	reviewed	LPO	-	-	-	-	-
O04385	BXGT003965	(Iso)eugenol O-methyltransferase	reviewed	IEMT1	-	-	-	-	-
Q0SBK1	BXGT013166	Probable vanillyl-alcohol oxidase	unreviewed	RHA1_ro03282	-	-	-	-	-

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

CHEMBL193598

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
Q96KQ7	BXGT019687	Histone-lysine N-methyltransferase EHMT2	reviewed	Epigenetic regulator	EHMT2	Potency	-	10000	nM
Q9UIF8	BXGT021718	Bromodomain adjacent to zinc finger domain protein 2B	reviewed	-	BAZ2B	Potency	-	89125	nM
P83916	BXGT012025	Chromobox protein homolog 1	reviewed	Epigenetic regulator	CBX1	Potency	-	79432	nM
P15917	BXGT008169	Lethal factor	reviewed	-	lef	Potency	'='	31622	nM
O89049	BXGT005293	Thioredoxin reductase 1, cytoplasmic	reviewed	-	Txnrd1	Potency	-	5011	nM
Q57TT1	BXGT015153	Uncharacterized protein	unreviewed	-	Tb927.8.6820	Potency	-	50118	nM
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	Potency	-	42163	nM

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
BXGF00019	Tarragon	Artemisia dracunculus	Herbs and Spices
BXGF00050	Chinese cinnamon	Cinnamomum aromaticum	Herbs and Spices
BXGF00051	Ceylon cinnamon	Cinnamomum verum	Herbs and Spices
BXGF00057	Sweet orange	Citrus sinensis	Fruits
BXGF00059	Arabica coffee	Coffea arabica	Coffee and coffee products
BXGF00068	Turmeric	Curcuma longa	Herbs and Spices
BXGF00090	Star anise	Illicium verum	Herbs and Spices
BXGF00118	Nutmeg	Myristica fragrans	Herbs and Spices
BXGF00119	Sweet basil	Ocimum basilicum	Herbs and Spices
BXGF00125	Rice	Oryza sativa	Cereals and cereal products
BXGF00142	Purslane	Portulaca oleracea	Herbs and Spices
BXGF00179	Cloves	Syzygium aromaticum	Herbs and Spices
BXGF00183	Common thyme	Thymus vulgaris	Herbs and Spices
BXGF00191	Highbush blueberry	Vaccinium corymbosum	Fruits
BXGF00193	Bilberry	Vaccinium myrtillus	Fruits
BXGF00206	Ginger	Zingiber officinale	Herbs and Spices
BXGF00265	Allspice	Pimenta dioica	Herbs and Spices
BXGF01140	Angelica gigas	Angelica gigas	Medicinal Plant
BXGF01185	Aloe vera	Aloe vera	Medicinal Plant
BXGF01237	Magnolia obovata	Magnolia obovata	Medicinal Plant
BXGF01259	Illicium difengpi	Illicium difengpi	Medicinal Plant
BXGF01426	Cornus officinalis	Cornus officinalis	Medicinal Plant
BXGF01597	Senegalia catechu	Senegalia catechu	Medicinal Plant
BXGF01709	Hyptis tomentosa	Hyptis tomentosa	Medicinal Plant
BXGF01721	Humulus lupulus	Humulus lupulus	Medicinal Plant
BXGF01900	Aloe ferox	Aloe ferox	Medicinal Plant
BXGF02024	Actaea dahurica	Actaea dahurica	Human Edible Plant
BXGF02049	Angelica sinensis	Angelica sinensis	Medicinal Plant
BXGF02143	Actaea cimicifuga	Actaea cimicifuga	Medicinal Plant
BXGF02182	Atractylodes lancea	Atractylodes lancea	Medicinal Plant
BXGF02204	Apocynum venetum	Apocynum venetum	Medicinal Plant
BXGF02562	Cephalonoplos segetum	Cephalonoplos segetum	Human Edible Plant
BXGF02620	Rosa chinensis	Rosa chinensis	Medicinal Plant
BXGF02737	Artemisia scoparia	Artemisia scoparia	Medicinal Plant
BXGF02750	Juniperus scopulorum	Juniperus scopulorum	Medicinal Plant
BXGF03162	Atractylodes macrocephala	Atractylodes macrocephala	Medicinal Plant
BXGF03327	Citrus trifoliata	Citrus trifoliata	Human Edible Plant
BXGF03427	Phellodendron chinense	Phellodendron chinense	Medicinal Plant
BXGF03682	Imperata cylindrica	Imperata cylindrica	Medicinal Plant
BXGF03689	Jatropha curcas	Jatropha curcas	Medicinal Plant
BXGF03828	Phellodendron amurense	Phellodendron amurense	Medicinal Plant
BXGF04256	Phellodendron chinese	Phellodendron chinese	Others
BXGF04283	Terminalia chebula	Terminalia chebula	Medicinal Plant
BXGF04402	Actaea simplex	Actaea simplex	Others
BXGF04631	Aloe spicata	Aloe spicata	Medicinal Plant
BXGF04646	Lens phaseoloides	Lens phaseoloides	Others
BXGF04842	Angelica acutiloba	Angelica acutiloba	Medicinal Plant
BXGF04926	Aloe africana	Aloe africana	Medicinal Plant
BXGF05264	Magnolia officinalis	Magnolia officinalis	Medicinal Plant
BXGF05294	Ipomoea cristulata	Ipomoea cristulata	Others
BXGF05363	Lophozonia menziesii	Lophozonia menziesii	Others
BXGF05431	Citrus natsudaidai	Citrus natsudaidai	Human Edible Plant
BXGF05443	Rhodotypos scandens	Rhodotypos scandens	Others
BXGF05527	Pancratium trianthum	Pancratium trianthum	Human Edible Plant
BXGF05571	Ziziphus jujuba	Ziziphus jujuba	Medicinal Plant
BXGF05589	Piper pedicellosum	Piper pedicellosum	Medicinal Plant
BXGF05808	Xanthostemon oppositifolius	Xanthostemon oppositifolius	Others
BXGF05819	Citrus aurantium	Citrus aurantium	Medicinal Plant
BXGF05836	Esenbeckia nesiotica	Esenbeckia nesiotica	Others
BXGF05999	Catalpa bignonioides	Catalpa bignonioides	Medicinal Plant
BXGF06045	Helipterum tenellum	Helipterum tenellum	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}