acompound

Showing entry for marmesin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0053679
Compound Name	marmesin
Structure
Formula	C14H14O4
InchiKey	FWYSBEAFFPBAQU-LBPRGKRZSA-N
SMILES	O=c1ccc2c(o1)cc1c(c2)C[C@H](O1)C(O)(C)C
Inchi	InChI=1S/C14H14O4/c1-14(2,16)12-6-9-5-8-3-4-13(15)18-10(8)7-11(9)17-12/h3-5,7,12,16H,6H2,1-2H3/t12-/m0/s1
IUPAC	(2S)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one
Molecular Weight	246.09
Pubchem Id	334704
Chembl Id	CHEMBL442813

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	-	-
reviewed	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	-	67000	-	-

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
P56817	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	IC50	'>'	500000	nM
P11511	BXGT007717	Aromatase	reviewed	Enzyme	CYP19A1	IC50	'>'	40	ug.mL-1
P22303	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	IC50	'='	67000	nM
P56817	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	Inhibition	'='	2	%
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	103	%
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	89	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01111	Hymenidium lindleyanum	Hymenidium lindleyanum	Others
BXGF01140	Angelica gigas	Angelica gigas	Medicinal Plant
BXGF01470	Pleurospermum rivulorum	Pleurospermum rivulorum	Medicinal Plant
BXGF02030	Angelica decursiva	Angelica decursiva	Medicinal Plant
BXGF02049	Angelica sinensis	Angelica sinensis	Medicinal Plant
BXGF02296	Zanthoxylum spinosum	Zanthoxylum spinosum	Others
BXGF02308	Peucedanum japonicum	Peucedanum japonicum	Medicinal Plant
BXGF02333	Saposhnikovia divaricata	Saposhnikovia divaricata	Medicinal Plant
BXGF02579	Peucedanum rubricaule	Peucedanum rubricaule	Medicinal Plant
BXGF03735	Hansenia weberbaueriana	Hansenia weberbaueriana	Others
BXGF03888	Angelica dahurica	Angelica dahurica	Medicinal Plant
BXGF04303	Anemarrhena asphodeloides	Anemarrhena asphodeloides	Medicinal Plant
BXGF04776	Thamnosma rhodesica	Thamnosma rhodesica	Others
BXGF04842	Angelica acutiloba	Angelica acutiloba	Medicinal Plant
BXGF05386	Aegle marmelos	Aegle marmelos	Medicinal Plant
BXGF05476	Broussonetia papyrifera	Broussonetia papyrifera	Medicinal Plant
BXGF06107	Glehnia littoralis	Glehnia littoralis	Medicinal Plant
BXGF06208	Rosa transmorrisonensis	Rosa transmorrisonensis	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}