acompound

Showing entry for Beilschminol A

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0023114
Compound Name	Beilschminol A
Structure
Formula	C22H26O7
InchiKey	VDZKDMJORWVROZ-IIBDXVJDSA-N
SMILES	COc1cc(cc(c1OC)O)[C@@H]1O[C@H]([C@@H]([C@H]1C)C)c1cc(OC)c2c(c1)OCO2
Inchi	InChI=1S/C22H26O7/c1-11-12(2)20(14-8-17(25-4)22-18(9-14)27-10-28-22)29-19(11)13-6-15(23)21(26-5)16(7-13)24-3/h6-9,11-12,19-20,23H,10H2,1-5H3/t11-,12-,19-,20-/m1/s1
IUPAC	2,3-dimethoxy-5-[(2R,3R,4R,5R)-5-(7-methoxy-1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]phenol
Molecular Weight	402.17
Pubchem Id	54671632
Chembl Id	CHEMBL1821991

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	BXGT009355	Nitric oxide synthase, inducible	reviewed		Nos2	-	51540	-	-

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
P29477	BXGT009355	Nitric oxide synthase, inducible	reviewed	-	Nos2	Emax	'='	86	%
P29477	BXGT009355	Nitric oxide synthase, inducible	reviewed	-	Nos2	IC50	'='	51540	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01611	Cassia artemisioides	Cassia artemisioides	Others
BXGF01874	Amomum sulcatum	Amomum sulcatum	Others
BXGF03963	Sarcophyton latum	Sarcophyton latum	Others
BXGF05060	Hedysarum sachalinense	Hedysarum sachalinense	Medicinal Plant
BXGF05091	Quercus laurifolia	Quercus laurifolia	Others
BXGF05357	Salvia divaricata	Salvia divaricata	Others
BXGF05512	Micromelum integerrimum	Micromelum integerrimum	Medicinal Plant
BXGF05544	Schlumbergera truncata	Schlumbergera truncata	Others
BXGF05581	Veronica intercedens	Veronica intercedens	Others
BXGF05619	Euphorbia jaxartica	Euphorbia jaxartica	Others
BXGF05721	Malva rotundifolia	Malva rotundifolia	Medicinal Plant
BXGF05839	Centaurea dealbata	Centaurea dealbata	Garden Plant
BXGF05892	Bosistoa floydii	Bosistoa floydii	Others
BXGF05988	Austrobaileya scandens	Austrobaileya scandens	Others
BXGF06177	Papaver glaucum	Papaver glaucum	Others
BXGF06200	Beilschmiedia tsangii	Beilschmiedia tsangii	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}