acompound

Showing entry for Isoeugenitol

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0000306
Compound Name	Isoeugenitol
Structure
Formula	C11H10O4
InchiKey	XSSGQRFNGHRFBC-UHFFFAOYSA-N
SMILES	CC1=CC(=O)C2=C(O)C=C(O)C(C)=C2O1
Inchi	InChI=1S/C11H10O4/c1-5-3-8(13)10-9(14)4-7(12)6(2)11(10)15-5/h3-4,12,14H,1-2H3
IUPAC	5,7-dihydroxy-2,8-dimethyl-4H-chromen-4-one
Molecular Weight	206.19
Pubchem Id	5318562
Chembl Id	CHEMBL1371435

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

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
P10636	BXGT007596	Microtubule-associated protein tau	reviewed	-	MAPT	Potency	'='	25118	nM
O97447	BXGT005436	Putative fructose-1,6-bisphosphate aldolase	unreviewed	-	ald	Potency	'='	12559	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	23109	nM
P10636	BXGT007596	Microtubule-associated protein tau	reviewed	-	MAPT	Potency	'='	35481	nM
P11473	BXGT007709	Vitamin D3 receptor	reviewed	Nuclear receptor	VDR	Potency	-	56234	nM
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Potency	'='	25118	nM
P04637	BXGT006243	Cellular tumor antigen p53	reviewed	Transcription factor	TP53	Potency	'='	31622	nM
P10636	BXGT007596	Microtubule-associated protein tau	reviewed	-	MAPT	Potency	'='	28183	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	20596	nM
P27695	BXGT009199	DNA-(apurinic or apyrimidinic site) lyase	reviewed	-	APEX1	Potency	-	39810	nM
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	129	%
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	101	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00008	Garlic	Allium sativum	Herbs and Spices
BXGF00179	Cloves	Syzygium aromaticum	Herbs and Spices
BXGF00818	Herbs and Spices		Herbs and Spices
BXGF00911	Piper attenuatum	Piper attenuatum	Medicinal Plant
BXGF01370	Artemisia jacutica	Artemisia jacutica	Others
BXGF01858	Bersama abyssinica	Bersama abyssinica	Medicinal Plant
BXGF02441	Aconitum sajanense	Aconitum sajanense	Others
BXGF02870	Strychnos triplinervia	Strychnos triplinervia	Medicinal Plant
BXGF04972	Eugenia caryopyhllata	Eugenia caryopyhllata	Others
BXGF05286	Cassia jahnii	Cassia jahnii	Others
BXGF05718	Avrainvillea rawsonii	Avrainvillea rawsonii	Others
BXGF05874	Damnacanthus major	Damnacanthus major	Others
BXGF06063	Stauntonia hexaphylla	Stauntonia hexaphylla	Medicinal Plant
BXGF06224	Rubus sanctus	Rubus sanctus	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}