acompound

Showing entry for Asarinin

General Compound Information
BXGC Id	BXGC0016444
Compound Name	Asarinin
Structure
Formula	C20H18O6
InchiKey	PEYUIKBAABKQKQ-WZBLMQSHSA-N
SMILES	C1Oc2c(O1)cc(cc2)[C@@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1ccc2c(c1)OCO2
Inchi	InChI=1S/C20H18O6/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2/t13-,14-,19-,20+/m0/s1
IUPAC	5-[(3R,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxole
Molecular Weight	354.11
Pubchem Id	101612
Chembl Id	CHEMBL43469

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

50101976

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	BXGT007738	Cytochrome P450 2C9	reviewed		CYP2C9	68	-	-	-

CHEMBL

CHEMBL43469

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
P43220	BXGT010367	Glucagon-like peptide 1 receptor	reviewed	G-protein coupled receptor	GLP1R	Potency	-	12589	nM
P11712	BXGT007738	Cytochrome P450 2C9	reviewed	-	CYP2C9	Drug metabolism	-	-	-
P11712	BXGT007738	Cytochrome P450 2C9	reviewed	-	CYP2C9	Potency	'='	3981	nM
O54968	BXGT004738	Nuclear factor erythroid 2-related factor 2	reviewed	-	Nfe2l2	Activity	-	-	-
P83916	BXGT012025	Chromobox protein homolog 1	reviewed	Epigenetic regulator	CBX1	Potency	-	79432	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	23109	nM
Q03431	BXGT012714	Parathyroid hormone/parathyroid hormone-related peptide receptor	reviewed	G-protein coupled receptor	PTH1R	Potency	-	50118	nM
P33261	BXGT009707	Cytochrome P450 2C19	reviewed	-	CYP2C19	Drug metabolism	-	-	-
P05177	BXGT006336	Cytochrome P450 1A2	reviewed	Enzyme	CYP1A2	Inhibition	-	-	-
P05177	BXGT006336	Cytochrome P450 1A2	reviewed	Enzyme	CYP1A2	Km	'='	11900	nM
P05177	BXGT006336	Cytochrome P450 1A2	reviewed	Enzyme	CYP1A2	Drug metabolism	-	-	-
P11712	BXGT007738	Cytochrome P450 2C9	reviewed	-	CYP2C9	Ratio	'='	0	/uM/min
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	107	%
P10635	BXGT007595	Cytochrome P450 2D6	reviewed	-	CYP2D6	Potency	'='	15848	nM
P33261	BXGT009707	Cytochrome P450 2C19	reviewed	-	CYP2C19	Potency	'='	3162	nM
P10635	BXGT007595	Cytochrome P450 2D6	reviewed	-	CYP2D6	Drug metabolism	-	-	-
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	Potency	-	23109	nM
P11712	BXGT007738	Cytochrome P450 2C9	reviewed	-	CYP2C9	Km	'='	15800	nM
P05181	BXGT006337	Cytochrome P450 2E1	reviewed	-	CYP2E1	Drug metabolism	-	-	-
P11712	BXGT007738	Cytochrome P450 2C9	reviewed	-	CYP2C9	Ki	'='	6800	nM
P05177	BXGT006336	Cytochrome P450 1A2	reviewed	Enzyme	CYP1A2	Kcat/Km	'='	0	/min/microM
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Drug metabolism	-	-	-
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	116	%
P05177	BXGT006336	Cytochrome P450 1A2	reviewed	Enzyme	CYP1A2	Kcat	'='	5	/min
P11712	BXGT007738	Cytochrome P450 2C9	reviewed	-	CYP2C9	Inhibition	-	-	-
P11712	BXGT007738	Cytochrome P450 2C9	reviewed	-	CYP2C9	Kinact	'='	0	/min
P11712	BXGT007738	Cytochrome P450 2C9	reviewed	-	CYP2C9	Kcat/Km	'='	0	/min/microM
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Inhibition	-	-	-
P11712	BXGT007738	Cytochrome P450 2C9	reviewed	-	CYP2C9	Kcat	'='	1	/min
Q13148	BXGT013318	TAR DNA-binding protein 43	reviewed	-	TARDBP	Potency	-	11220	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00975	Lindera obtusiloba	Lindera obtusiloba	Medicinal Plant
BXGF01144	Lespedeza cyrtobotrya	Lespedeza cyrtobotrya	Medicinal Plant
BXGF01386	Asarum heterotropoides	Asarum heterotropoides	Others
BXGF01817	Uvaria ferruginea	Uvaria ferruginea	Others
BXGF01872	Teucrium fragile	Teucrium fragile	Others
BXGF02174	Trichilia dregeana	Trichilia dregeana	Medicinal Plant
BXGF02386	Ptelea crenulata	Ptelea crenulata	Others
BXGF02405	Hymenaea oblongifolia	Hymenaea oblongifolia	Others
BXGF02510	Flaveria bidentis	Flaveria bidentis	Medicinal Plant
BXGF02525	Sansevieria ehrenbergii	Sansevieria ehrenbergii	Human Edible Plant
BXGF02806	Dryobalanops camphora	Dryobalanops camphora	Medicinal Plant
BXGF02826	Lophocolea bidentata	Lophocolea bidentata	Others
BXGF05627	Asarum sieboldii	Asarum sieboldii	Medicinal Plant
BXGF05699	Cnidoscolus texanus	Cnidoscolus texanus	Others
BXGF05974	Diospyros montana	Diospyros montana	Medicinal Plant
BXGF06036	Eleutherococcus gracilistylus	Eleutherococcus gracilistylus	Others
BXGF06210	Veronica anagallis-aquatica	Veronica anagallis-aquatica	Medicinal Plant
BXGF06268	Zanthoxylum nitidum	Zanthoxylum nitidum	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}