acompound

Showing entry for geniposidic acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0032132
Compound Name	geniposidic acid
Structure
Formula	C16H22O10
InchiKey	ZJDOESGVOWAULF-OGJQONSISA-N
SMILES	OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@H]3[C@H]2C(=CC3)CO)C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O
Inchi	InChI=1S/C16H22O10/c17-3-6-1-2-7-8(14(22)23)5-24-15(10(6)7)26-16-13(21)12(20)11(19)9(4-18)25-16/h1,5,7,9-13,15-21H,2-4H2,(H,22,23)/t7-,9-,10-,11-,12+,13-,15+,16+/m1/s1
IUPAC	(1S,4aS,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
Molecular Weight	374.12
Pubchem Id	443354
Chembl Id	CHEMBL460031

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

n.a

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

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
P35354	BXGT009816	Prostaglandin G/H synthase 2	reviewed	Enzyme	PTGS2	Inhibition	'='	33	%
P35354	BXGT009816	Prostaglandin G/H synthase 2	reviewed	Enzyme	PTGS2	Inhibition	'='	33	%
P35354	BXGT009816	Prostaglandin G/H synthase 2	reviewed	Enzyme	PTGS2	Inhibition	'<='	30	%
Q76353	BXGT016849	Integrase	unreviewed	-		IC50	'>'	100	ug.mL-1
P23219	BXGT008837	Prostaglandin G/H synthase 1	reviewed	Enzyme	PTGS1	Inhibition	'='	54	%
P23219	BXGT008837	Prostaglandin G/H synthase 1	reviewed	Enzyme	PTGS1	Inhibition	'='	55	%
P23219	BXGT008837	Prostaglandin G/H synthase 1	reviewed	Enzyme	PTGS1	Inhibition	'='	55	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00382	New Zealand spinach	Tetragonia tetragonioides	Vegetables
BXGF00979	Cistanche deserticola	Cistanche deserticola	Medicinal Plant
BXGF02359	Eucommia ulmoides	Eucommia ulmoides	Medicinal Plant
BXGF02583	Hedyotis diffusae herba	Hedyotis diffusae herba	Others
BXGF02927	Akebia quinata	Akebia quinata	Medicinal Plant
BXGF03256	Platycodon grandiflorus	Platycodon grandiflorus	Medicinal Plant
BXGF03316	Titanotrichum oldhamii	Titanotrichum oldhamii	Others
BXGF04758	Caragana sinica	Caragana sinica	Medicinal Plant
BXGF05098	Plantago asiatica	Plantago asiatica	Medicinal Plant
BXGF05120	Rheum maximowiczii	Rheum maximowiczii	Medicinal Plant
BXGF05306	Tanacetum cinerariifolium	Tanacetum cinerariifolium	Medicinal Plant
BXGF05476	Broussonetia papyrifera	Broussonetia papyrifera	Medicinal Plant
BXGF05756	Cistanche tubulosa	Cistanche tubulosa	Medicinal Plant
BXGF05852	Ixora chinensis	Ixora chinensis	Medicinal Plant
BXGF06113	Plantago depressa	Plantago depressa	Medicinal Plant
BXGF06238	Gardenia jasminoides	Gardenia jasminoides	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}