acompound

Showing entry for (1R,2S,5R,6R)-5'-O-Methylpluviatilol

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0034037
Compound Name	(1R,2S,5R,6R)-5'-O-Methylpluviatilol
Structure
Formula	C21H22O7
InchiKey	WQXZSCSXVJCPOG-MFRYECHYSA-N
SMILES	COc1cc(cc(c1O)OC)[C@H]1OC[C@H]2[C@@H]1CO[C@H]2c1ccc2c(c1)OCO2
Inchi	InChI=1S/C21H22O7/c1-23-17-6-12(7-18(24-2)19(17)22)21-14-9-25-20(13(14)8-26-21)11-3-4-15-16(5-11)28-10-27-15/h3-7,13-14,20-22H,8-10H2,1-2H3/t13-,14-,20-,21+/m0/s1
IUPAC	4-[(3R,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenol
Molecular Weight	386.14
Pubchem Id	57404419
Chembl Id	CHEMBL2011538

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	BXGT012945	Peroxisome proliferator-activated receptor alpha	reviewed	Nuclear receptor	PPARA	-	-	-	>60000
reviewed	BXGT009972	Peroxisome proliferator-activated receptor gamma	reviewed	Nuclear receptor	PPARG	-	-	-	22600
reviewed	BXGT012701	Peroxisome proliferator-activated receptor delta	reviewed	Nuclear receptor	PPARD	-	-	-	47600

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
Q03181	BXGT012701	Peroxisome proliferator-activated receptor delta	reviewed	Nuclear receptor	PPARD	EC50	'='	47600	nM
Q07869	BXGT012945	Peroxisome proliferator-activated receptor alpha	reviewed	Nuclear receptor	PPARA	EC50	'>'	60000	nM
P37231	BXGT009972	Peroxisome proliferator-activated receptor gamma	reviewed	Nuclear receptor	PPARG	EC50	'='	22600	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01773	Garcinia oligantha	Garcinia oligantha	Others
BXGF02144	Iris spuria	Iris spuria	Medicinal Plant
BXGF02194	Eucalyptus hybrid	Eucalyptus hybrid	Others
BXGF02364	Aconitum episcopale	Aconitum episcopale	Others
BXGF05181	Ardisia arborescens	Ardisia arborescens	Medicinal Plant
BXGF05627	Asarum sieboldii	Asarum sieboldii	Medicinal Plant
BXGF05844	Rubus trifidus	Rubus trifidus	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}