acompound

General Compound Information
BXGC Id	BXGC0015579
Compound Name	3,3'-didemethoxynectandrin B
Structure
Formula	C18H20O3
InchiKey	PIBJADPEZQHMQS-FRVJLOGJSA-N
SMILES	C[C@@H]1[C@H](O[C@H]([C@@H]1C)c1ccc(cc1)O)c1ccc(cc1)O
Inchi	InChI=1S/C18H20O3/c1-11-12(2)18(14-5-9-16(20)10-6-14)21-17(11)13-3-7-15(19)8-4-13/h3-12,17-20H,1-2H3/t11-,12+,17-,18+
IUPAC	4-[(2R,3R,4S,5S)-5-(4-hydroxyphenyl)-3,4-dimethyloxolan-2-yl]phenol
Molecular Weight	284.14
Pubchem Id	14213224
Chembl Id	CHEMBL2147417

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	BXGT006941	Arachidonate 5-lipoxygenase	reviewed	Enzyme	ALOX5	-	>50000	-	-
reviewed	BXGT004082	Prostaglandin E synthase	reviewed		PTGES	-	>50000	-	-
reviewed	BXGT011858	Prostaglandin G/H synthase 2	reviewed		PTGS2	-	>50000	-	-
reviewed	BXGT006400	Prostaglandin G/H synthase 1	reviewed		PTGS1	-	>50000	-	-

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
P09917	BXGT006941	Arachidonate 5-lipoxygenase	reviewed	Enzyme	ALOX5	IC50	'>'	50000	nM
O14684	BXGT004082	Prostaglandin E synthase	reviewed	-	PTGES	IC50	'>'	50000	nM
P05979	BXGT006400	Prostaglandin G/H synthase 1	reviewed	-	PTGS1	IC50	'>'	50000	nM
P79208	BXGT011858	Prostaglandin G/H synthase 2	reviewed	-	PTGS2	IC50	'>'	50000	nM
O14920	BXGT004110	Inhibitor of nuclear factor kappa-B kinase subunit beta	reviewed	Kinase	IKBKB	Inhibition	-	-	-
Q07869	BXGT012945	Peroxisome proliferator-activated receptor alpha	reviewed	Nuclear receptor	PPARA	Activity	-	-	-
P04150	BXGT006154	Glucocorticoid receptor	reviewed	Nuclear receptor	NR3C1	Activity	-	-	-
P37231	BXGT009972	Peroxisome proliferator-activated receptor gamma	reviewed	Nuclear receptor	PPARG	Activity	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00155	Blackcurrant	Ribes nigrum	Fruits
BXGF01069	Ratibida mexicana	Ratibida mexicana	Medicinal Plant
BXGF01270	Peltogyne porphyrocardia	Peltogyne porphyrocardia	Others
BXGF01552	Garcinia xipshuanbannaensis	Garcinia xipshuanbannaensis	Human Edible Plant
BXGF01610	Caiophora coronata	Caiophora coronata	Others
BXGF01751	Caulerpa serrulata	Caulerpa serrulata	Human Edible Plant
BXGF01784	Leonurus persicus	Leonurus persicus	Medicinal Plant
BXGF01810	Delphinium shawurense	Delphinium shawurense	Others
BXGF01882	Lathyrus nissolia	Lathyrus nissolia	Medicinal Plant
BXGF01977	Gutierrezia lucida	Gutierrezia lucida	Others
BXGF01994	Helichrysum graveolens	Helichrysum graveolens	Others
BXGF02032	Krameria lappacea	Krameria lappacea	Food Plant
BXGF02042	Magnolia sieboldii	Magnolia sieboldii	Medicinal Plant
BXGF02136	Skimmia wallichii	Skimmia wallichii	Others
BXGF02330	Codonopsis pilosula	Codonopsis pilosula	Medicinal Plant
BXGF03853	Aconitum violaceum	Aconitum violaceum	Medicinal Plant
BXGF05008	Krameria interior	Krameria interior	Others
BXGF05087	Alsomitra graciliflora	Alsomitra graciliflora	Others
BXGF05288	Fagraea gracilipes	Fagraea gracilipes	Human Edible Plant
BXGF05468	Baliospermum axillare	Baliospermum axillare	Medicinal Plant
BXGF05629	Iryanthera paraensis	Iryanthera paraensis	Human Edible Plant
BXGF06291	Nepeta erecta	Nepeta erecta	Others
BXGF06302	Pinus brutia var. eldarica	Pinus brutia var. eldarica	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}