acompound

Showing entry for (-)-Licarin B

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0022127
Compound Name	(-)-Licarin B
Structure
Formula	C20H20O4
InchiKey	DMMQXURQRMNSBM-NSWCWGQASA-N
SMILES	C/C=C/c1cc2c(c(c1)OC)O[C@@H]([C@H]2C)c1ccc2c(c1)OCO2
Inchi	InChI=1S/C20H20O4/c1-4-5-13-8-15-12(2)19(24-20(15)18(9-13)21-3)14-6-7-16-17(10-14)23-11-22-16/h4-10,12,19H,11H2,1-3H3/b5-4+/t12-,19-/m0/s1
IUPAC	5-[(2S,3S)-7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]-1,3-benzodioxole
Molecular Weight	324.14
Pubchem Id	10860310
Chembl Id	CHEMBL578403

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	BXGT006400	Prostaglandin G/H synthase 1	reviewed		PTGS1	-	366000	-	-
reviewed	BXGT011858	Prostaglandin G/H synthase 2	reviewed		PTGS2	-	25600	-	-

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
P05979	BXGT006400	Prostaglandin G/H synthase 1	reviewed	-	PTGS1	IC50	'='	366000	nM
P79208	BXGT011858	Prostaglandin G/H synthase 2	reviewed	-	PTGS2	IC50	'='	25600	nM
P62575	BXGT011435	Sialidase A	reviewed	-	nanA	IC50	'='	1500	nM
P62575	BXGT011435	Sialidase A	reviewed	-	nanA	Inhibition	-	-	-
P62575	BXGT011435	Sialidase A	reviewed	-	nanA	Ki	'='	1300	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00118	Nutmeg	Myristica fragrans	Herbs and Spices
BXGF01709	Hyptis tomentosa	Hyptis tomentosa	Medicinal Plant
BXGF02562	Cephalonoplos segetum	Cephalonoplos segetum	Human Edible Plant
BXGF03056	Saururus chinensis	Saururus chinensis	Medicinal Plant
BXGF04646	Lens phaseoloides	Lens phaseoloides	Others
BXGF05294	Ipomoea cristulata	Ipomoea cristulata	Others
BXGF05363	Lophozonia menziesii	Lophozonia menziesii	Others
BXGF05443	Rhodotypos scandens	Rhodotypos scandens	Others
BXGF05527	Pancratium trianthum	Pancratium trianthum	Human Edible Plant
BXGF05589	Piper pedicellosum	Piper pedicellosum	Medicinal Plant
BXGF05808	Xanthostemon oppositifolius	Xanthostemon oppositifolius	Others
BXGF05836	Esenbeckia nesiotica	Esenbeckia nesiotica	Others
BXGF05999	Catalpa bignonioides	Catalpa bignonioides	Medicinal Plant
BXGF06045	Helipterum tenellum	Helipterum tenellum	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}