acompound

Showing entry for (+)-Lomatin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0029764
Compound Name	(+)-Lomatin
Structure
Formula	C14H14O4
InchiKey	UJSHBYQGQRPVNO-LLVKDONJSA-N
SMILES	O=c1ccc2c(o1)c1C[C@@H](O)C(Oc1cc2)(C)C
Inchi	InChI=1S/C14H14O4/c1-14(2)11(15)7-9-10(18-14)5-3-8-4-6-12(16)17-13(8)9/h3-6,11,15H,7H2,1-2H3/t11-/m1/s1
IUPAC	(9R)-9-hydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-2-one
Molecular Weight	246.09
Pubchem Id	759302
Chembl Id	CHEMBL503137

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	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	-	>500000	-	-

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
P04353	BXGT006194	Calmodulin	reviewed	-		Activity	-	-	-
B2RXH2	BXGT002006	Lysine-specific demethylase 4E	reviewed	-	KDM4E	Potency	'='	28183	nM
O89049	BXGT005293	Thioredoxin reductase 1, cytoplasmic	reviewed	-	Txnrd1	Potency	-	22387	nM
P62157	BXGT011410	Calmodulin	reviewed	-	CALM	Activity	-	-	-
Q194T2	BXGT013743	Non-structural protein 1	unreviewed	-	NS1	Potency	'='	4466	nM
P63092	BXGT011495	Guanine nucleotide-binding protein G(s) subunit alpha isoforms short	reviewed	-	GNAS	Potency	-	11220	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01140	Angelica gigas	Angelica gigas	Medicinal Plant
BXGF02049	Angelica sinensis	Angelica sinensis	Medicinal Plant
BXGF02296	Zanthoxylum spinosum	Zanthoxylum spinosum	Others
BXGF02638	Kopsia albiflora	Kopsia albiflora	Others
BXGF04420	Ribes sanguineum	Ribes sanguineum	Medicinal Plant
BXGF04842	Angelica acutiloba	Angelica acutiloba	Medicinal Plant
BXGF05040	prionosciadium watsoni	prionosciadium watsoni	Others
BXGF05477	Stachys chinensis	Stachys chinensis	Human Edible Plant
BXGF05651	Humulus scandens	Humulus scandens	Human Edible 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}