acompound

Showing entry for Nymphaeol B

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0049237
Compound Name	Nymphaeol B
Structure
Formula	C25H28O6
InchiKey	ILCMVLORKWIOOH-CEMXSPGASA-N
SMILES	C/C(=C\Cc1c(ccc(c1O)O)[C@@H]1CC(=O)c2c(O1)cc(cc2O)O)/CCC=C(C)C
Inchi	InChI=1S/C25H28O6/c1-14(2)5-4-6-15(3)7-8-18-17(9-10-19(27)25(18)30)22-13-21(29)24-20(28)11-16(26)12-23(24)31-22/h5,7,9-12,22,26-28,30H,4,6,8,13H2,1-3H3/b15-7+/t22-/m0/s1
IUPAC	(2S)-2-[2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,4-dihydroxyphenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
Molecular Weight	424.19
Pubchem Id	10387631
Chembl Id	CHEMBL464364

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
Q05769	BXGT012834	Prostaglandin G/H synthase 2	reviewed	-	Ptgs2	IC50	'='	3	ug.mL-1

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
BXGF02351	Libanothamnus occultus	Libanothamnus occultus	Others
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}