acompound

General Compound Information
BXGC Id	BXGC0038453
Compound Name	loganic acid
Structure
Formula	C16H24O10
InchiKey	JNNGEAWILNVFFD-CDJYTOATSA-N
SMILES	OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@H]3[C@H]2[C@@H](C)[C@H](C3)O)C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O
Inchi	InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6+,8-,9+,10+,11+,12-,13+,15-,16-/m0/s1
IUPAC	(1S,4aS,6S,7R,7aS)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
Molecular Weight	376.14
Pubchem Id	89640
Chembl Id	CHEMBL1081585

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

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
B2KPR3	BXGT001993	Loganic acid O-methyltransferase	reviewed	LAMT	-	-	-	-	-

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	'='	84	%
P35354	BXGT009816	Prostaglandin G/H synthase 2	reviewed	Enzyme	PTGS2	Inhibition	'<='	30	%
P60033	BXGT011286	CD81 antigen	reviewed	-	CD81	Activity	-	-	-
P23219	BXGT008837	Prostaglandin G/H synthase 1	reviewed	Enzyme	PTGS1	Inhibition	'='	36	%
P35354	BXGT009816	Prostaglandin G/H synthase 2	reviewed	Enzyme	PTGS2	Inhibition	'='	80	%
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	99	%
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	49	%
P23219	BXGT008837	Prostaglandin G/H synthase 1	reviewed	Enzyme	PTGS1	Inhibition	'='	36	%
P23219	BXGT008837	Prostaglandin G/H synthase 1	reviewed	Enzyme	PTGS1	Inhibition	'='	35	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00846	Gentiana lutea	Gentiana lutea	Vegetables
BXGF00932	Gentiana scabra	Gentiana scabra	Medicinal Plant
BXGF01009	Dipsacus asper	Dipsacus asper	Others
BXGF01426	Cornus officinalis	Cornus officinalis	Medicinal Plant
BXGF01973	Lonicera japonica	Lonicera japonica	Medicinal Plant
BXGF02644	Gentiana rigescens	Gentiana rigescens	Medicinal Plant
BXGF03063	Gentiana straminea	Gentiana straminea	Medicinal Plant
BXGF03149	Gentiana manshurica	Gentiana manshurica	Medicinal Plant
BXGF03516	Gentiana macrophylla	Gentiana macrophylla	Medicinal Plant
BXGF04357	Gentiana dahurica	Gentiana dahurica	Medicinal Plant
BXGF05119	Rheedia acuminata	Rheedia acuminata	Human Edible Plant
BXGF05124	Gentiana crassicaulis	Gentiana crassicaulis	Medicinal Plant
BXGF05136	Acacia aulacocarpa	Acacia aulacocarpa	Others
BXGF05164	Aspidosperma subincanum	Aspidosperma subincanum	Medicinal Plant
BXGF05323	Ardisia neriifolia	Ardisia neriifolia	Others
BXGF05343	Psiadia dentata	Psiadia dentata	Others
BXGF05407	Peritassa compta	Peritassa compta	Others
BXGF05415	Eupatorium argentinum	Eupatorium argentinum	Others
BXGF05609	Cryptocarya aschersoniana	Cryptocarya aschersoniana	Others
BXGF05707	Juniperus brevifolia	Juniperus brevifolia	Others
BXGF05865	Guatteria boliviana	Guatteria boliviana	Others
BXGF06020	Anemone flaccida	Anemone flaccida	Medicinal Plant
BXGF06121	Gentiana macrophylla pall	Gentiana macrophylla pall	Others
BXGF06151	Scutellaria lateriflora	Scutellaria lateriflora	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}