acompound

Showing entry for Penduletin

General Compound Information
BXGC Id	BXGC0012590
Compound Name	Penduletin
Structure
Formula	C18H16O7
InchiKey	YSXFFLGRZJWNFM-UHFFFAOYSA-N
SMILES	COc1c(oc2c(c1=O)c(O)c(c(c2)OC)OC)c1ccc(cc1)O
Inchi	InChI=1S/C18H16O7/c1-22-12-8-11-13(14(20)17(12)23-2)15(21)18(24-3)16(25-11)9-4-6-10(19)7-5-9/h4-8,19-20H,1-3H3
IUPAC	5-hydroxy-2-(4-hydroxyphenyl)-3,6,7-trimethoxychromen-4-one
Molecular Weight	344.09
Pubchem Id	5320462
Chembl Id	CHEMBL165509

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

50338973

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	BXGT021792	ATP-binding cassette sub-family G member 2	reviewed	Transporter	ABCG2	-	1200	-	-
reviewed	BXGT021792	ATP-binding cassette sub-family G member 2	reviewed	Transporter	ABCG2	-	2000	-	-
reviewed	BXGT006741	ATP-dependent translocase ABCB1	reviewed	Transporter	ABCB1	-	14000	-	-

CHEMBL

CHEMBL165509

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
P08183	BXGT006741	ATP-dependent translocase ABCB1	reviewed	Transporter	ABCB1	IC50	'='	14000	nM
P15121	BXGT008083	Aldo-keto reductase family 1 member B1	reviewed	Enzyme	AKR1B1	Inhibition	'='	0	%
P15121	BXGT008083	Aldo-keto reductase family 1 member B1	reviewed	Enzyme	AKR1B1	Inhibition	'='	21	%
P15121	BXGT008083	Aldo-keto reductase family 1 member B1	reviewed	Enzyme	AKR1B1	Inhibition	'='	97	%
Q9UNQ0	BXGT021792	ATP-binding cassette sub-family G member 2	reviewed	Transporter	ABCG2	IC50	'='	2000	nM
P15121	BXGT008083	Aldo-keto reductase family 1 member B1	reviewed	Enzyme	AKR1B1	Inhibition	'='	64	%
Q9UNQ0	BXGT021792	ATP-binding cassette sub-family G member 2	reviewed	Transporter	ABCG2	IC50	'='	1200	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00940	Prunus cerasoides	Prunus cerasoides	Medicinal Plant
BXGF00948	Artemisia apiacea	Artemisia apiacea	Medicinal Plant
BXGF01001	Espeletia moritziana	Espeletia moritziana	Others
BXGF01258	Vernonia leopoldi	Vernonia leopoldi	Others
BXGF01438	Millettia zechiana	Millettia zechiana	Others
BXGF01459	Brachylaena ramiflora	Brachylaena ramiflora	Others
BXGF01526	Kielmeyera albopunctata	Kielmeyera albopunctata	Others
BXGF01894	Uvaria cherrevensis	Uvaria cherrevensis	Others
BXGF02259	Senecio kaempferi	Senecio kaempferi	Others
BXGF02399	Callicarpa pilosissima	Callicarpa pilosissima	Others
BXGF02522	Varthemia iphionoides	Varthemia iphionoides	Medicinal Plant
BXGF02524	Isodon coetsa	Isodon coetsa	Medicinal Plant
BXGF02816	Fagraea fragrans	Fagraea fragrans	Medicinal Plant
BXGF02980	Delphinium brownii	Delphinium brownii	Medicinal Plant
BXGF03177	Glycyrrhiza echinata	Glycyrrhiza echinata	Medicinal Plant
BXGF03220	Lycopodium contiguum	Lycopodium contiguum	Others
BXGF03268	Robinsonia gracilis	Robinsonia gracilis	Others
BXGF03301	Polygala arillata	Polygala arillata	Medicinal Plant
BXGF03432	Chrysanthemum indicum	Chrysanthemum indicum	Medicinal Plant
BXGF03976	Nuxia oppositifolia	Nuxia oppositifolia	Others
BXGF04271	Artemisia annua	Artemisia annua	Medicinal Plant
BXGF04355	Mundulea striata	Mundulea striata	Others
BXGF04536	Acer triflorum	Acer triflorum	Others
BXGF04638	Dovyalis abyssinica	Dovyalis abyssinica	Medicinal Plant
BXGF05012	Linum album	Linum album	Others
BXGF05179	Asplenium septentrionale	Asplenium septentrionale	Medicinal Plant
BXGF05238	Drimia sanguinea	Drimia sanguinea	Medicinal Plant
BXGF05325	Eucalyptus cordata	Eucalyptus cordata	Others
BXGF05351	Nectandra rubra	Nectandra rubra	Others
BXGF05380	Jasonia montana	Jasonia montana	Others
BXGF05401	Colliguaja salicifolia	Colliguaja salicifolia	Others
BXGF05440	Nephelium mutabile	Nephelium mutabile	Medicinal Plant
BXGF05505	Fritillaria ussuriensis	Fritillaria ussuriensis	Medicinal Plant
BXGF05521	Panda oleosa	Panda oleosa	Human Edible Plant
BXGF05735	Achillea tuzsonii	Achillea tuzsonii	Others
BXGF05754	Dalea purpurea	Dalea purpurea	Medicinal Plant
BXGF05784	Zaluzianskya capensis	Zaluzianskya capensis	Others
BXGF06056	Phyllanthus virgatus	Phyllanthus virgatus	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}