acompound

Showing entry for Nymphaeol A

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0028224
Compound Name	Nymphaeol A
Structure
Formula	C25H28O6
InchiKey	XCYSQFHYFNWYFP-CEMXSPGASA-N
SMILES	C/C(=C\Cc1c(O)cc2c(c1O)C(=O)C[C@H](O2)c1ccc(c(c1)O)O)/CCC=C(C)C
Inchi	InChI=1S/C25H28O6/c1-14(2)5-4-6-15(3)7-9-17-19(27)12-23-24(25(17)30)21(29)13-22(31-23)16-8-10-18(26)20(28)11-16/h5,7-8,10-12,22,26-28,30H,4,6,9,13H2,1-3H3/b15-7+/t22-/m0/s1
IUPAC	(2S)-2-(3,4-dihydroxyphenyl)-6-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
Molecular Weight	424.19
Pubchem Id	639465
Chembl Id	CHEMBL223256

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

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
reviewed	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	-	7200	-	-
reviewed	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	8400	-	-	-

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
P22303	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	KSV	'='	0	10'5L/M
P22303	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	IC50	'='	7200	nM
P22303	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	Inhibition	-	-	-
Q9N1N9	BXGT021115	Carboxylic ester hydrolase	unreviewed	-	BCHE	Ki	'='	1200	nM
Q9N1N9	BXGT021115	Carboxylic ester hydrolase	unreviewed	-	BCHE	IC50	'='	1400	nM
P22303	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	Ka	'='	5	10'3L/M
P35354	BXGT009816	Prostaglandin G/H synthase 2	reviewed	Enzyme	PTGS2	IC50	'='	4200	nM
P22303	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	Ki	'='	8400	nM
P22303	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	Ratio IC50	'='	200	-
P09917	BXGT006941	Arachidonate 5-lipoxygenase	reviewed	Enzyme	ALOX5	Inhibition	-	-	-
P08246	BXGT006756	Neutrophil elastase	reviewed	Enzyme	ELANE	IC50	'='	22800	nM
P08246	BXGT006756	Neutrophil elastase	reviewed	Enzyme	ELANE	Ki	'='	15700	nM
P05979	BXGT006400	Prostaglandin G/H synthase 1	reviewed	-	PTGS1	IC50	'='	1800	nM
P09917	BXGT006941	Arachidonate 5-lipoxygenase	reviewed	Enzyme	ALOX5	Ratio IC50	'='	10	-
P35354	BXGT009816	Prostaglandin G/H synthase 2	reviewed	Enzyme	PTGS2	Inhibition	-	-	-
P09917	BXGT006941	Arachidonate 5-lipoxygenase	reviewed	Enzyme	ALOX5	IC50	'='	50	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01265	Macaranga tanarius	Macaranga tanarius	Medicinal Plant
BXGF01306	Swartzia madagascariensis	Swartzia madagascariensis	Medicinal Plant
BXGF01978	Jacobaea adonidifolia	Jacobaea adonidifolia	Others
BXGF02227	Schizolaena hystrix	Schizolaena hystrix	Others
BXGF02852	Sophora flavescens	Sophora flavescens	Medicinal Plant
BXGF03392	Paulownia tomentosa	Paulownia tomentosa	Medicinal Plant
BXGF04950	Vitex pinnata	Vitex pinnata	Medicinal Plant
BXGF05092	Elaeocarpus fuscoides	Elaeocarpus fuscoides	Others
BXGF05447	Calodendrum capense	Calodendrum capense	Medicinal Plant
BXGF05479	Stevia purpurea	Stevia purpurea	Others
BXGF05624	Croton caudatus	Croton caudatus	Medicinal Plant
BXGF05781	Oxera splendida	Oxera splendida	Others
BXGF06046	Meconopsis horridula	Meconopsis horridula	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}