acompound

General Compound Information
BXGC Id	BXGC0034430
Compound Name	Catalpol
Structure
Formula	C15H22O10
InchiKey	LHDWRKICQLTVDL-PZYDOOQISA-N
SMILES	OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@@H]3[C@H]2[C@@]2(CO)O[C@H]2[C@H]3O)[C@@H]([C@H]([C@@H]1O)O)O
Inchi	InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1
IUPAC	(2S,3R,4S,5S,6R)-2-[[(1aS,1bS,2S,5aR,6S,6aS)-6-hydroxy-1a-(hydroxymethyl)-2,5a,6,6a-tetrahydro-1bH-oxireno[5,6]cyclopenta[1,3-c]pyran-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Weight	362.12
Pubchem Id	91520
Chembl Id	CHEMBL513223

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	BXGT008521	DNA polymerase I, thermostable	reviewed		polA	-	47800	-	-

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
P03372	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	Activity	'='	54	%
P23219	BXGT008837	Prostaglandin G/H synthase 1	reviewed	Enzyme	PTGS1	Inhibition	'='	63	%
P03372	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	Activity	'='	75	%
P19821	BXGT008521	DNA polymerase I, thermostable	reviewed	-	polA	IC50	'='	47800	nM
Q92830	BXGT019379	Histone acetyltransferase KAT2A	reviewed	-	KAT2A	Potency	-	39810	nM
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Inhibition	'='	-5	%
P23219	BXGT008837	Prostaglandin G/H synthase 1	reviewed	Enzyme	PTGS1	Inhibition	'='	44	%
P35354	BXGT009816	Prostaglandin G/H synthase 2	reviewed	Enzyme	PTGS2	Inhibition	'<='	30	%
P23219	BXGT008837	Prostaglandin G/H synthase 1	reviewed	Enzyme	PTGS1	Inhibition	'='	47	%
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Inhibition	'='	11	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00851	Myrsine capitellata	Myrsine capitellata	Medicinal Plant
BXGF01122	Sideritis trojana	Sideritis trojana	Others
BXGF01160	Juncus effusus	Juncus effusus	Medicinal Plant
BXGF01200	Markhamia stipulata	Markhamia stipulata	Medicinal Plant
BXGF01342	Hypericum reflexum	Hypericum reflexum	Others
BXGF01364	Vinca minor	Vinca minor	Human Edible Plant
BXGF01373	Myroxylon peruiferum	Myroxylon peruiferum	Others
BXGF01429	Osteospermum fruticosum	Osteospermum fruticosum	Others
BXGF01802	Kandelia candel	Kandelia candel	Medicinal Plant
BXGF02048	Sideritis soluta	Sideritis soluta	Others
BXGF02359	Eucommia ulmoides	Eucommia ulmoides	Medicinal Plant
BXGF03256	Platycodon grandiflorus	Platycodon grandiflorus	Medicinal Plant
BXGF05098	Plantago asiatica	Plantago asiatica	Medicinal Plant
BXGF05120	Rheum maximowiczii	Rheum maximowiczii	Medicinal Plant
BXGF05643	Viguiera stenoloba	Viguiera stenoloba	Others
BXGF05763	Garcinia subelliptica	Garcinia subelliptica	Others
BXGF05788	Mollugo spergula	Mollugo spergula	Medicinal Plant
BXGF05962	Rehmannia glutinosa	Rehmannia glutinosa	Medicinal Plant
BXGF06113	Plantago depressa	Plantago depressa	Medicinal Plant
BXGF06168	Nicotiana affinis	Nicotiana affinis	Others
BXGF06222	Senecio sandersonii	Senecio sandersonii	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}