acompound

Showing entry for Hinokinin

General Compound Information
BXGC Id	BXGC0026092
Compound Name	Hinokinin
Structure
Formula	C20H18O6
InchiKey	DDWGQGZPYDSYEL-LSDHHAIUSA-N
SMILES	O=C1OC[C@@H]([C@H]1Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2
Inchi	InChI=1S/C20H18O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,7-8,14-15H,5-6,9-11H2/t14-,15+/m0/s1
IUPAC	(3R,4R)-3,4-bis(1,3-benzodioxol-5-ylmethyl)oxolan-2-one
Molecular Weight	354.11
Pubchem Id	442879
Chembl Id	CHEMBL242011

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

50218812

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	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	-	8000	-	-
reviewed	BXGT007595	Cytochrome P450 2D6	reviewed		CYP2D6	-	26500	-	-
reviewed	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	373	-	-	-
reviewed	BXGT010619	Sodium- and chloride-dependent glycine transporter 1	reviewed	Transporter	SLC6A9	-	>500000	-	-
reviewed	BXGT010349	Excitatory amino acid transporter 3	reviewed	Transporter	SLC1A1	-	>500000	-	-
reviewed	BXGT010348	Excitatory amino acid transporter 2	reviewed	Transporter	SLC1A2	-	>100000	-	-
reviewed	BXGT010347	Excitatory amino acid transporter 1	reviewed	Transporter	SLC1A3	-	>500000	-	-
reviewed	BXGT010618	Sodium- and chloride-dependent GABA transporter 3	reviewed	Transporter	SLC6A11	-	>500000	-	-
reviewed	BXGT009432	Sodium- and chloride-dependent GABA transporter 1	reviewed	Transporter	SLC6A1	-	20600	-	-

CHEMBL

CHEMBL242011

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
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Ki	'='	373	nM
P23975	BXGT008935	Sodium-dependent noradrenaline transporter	reviewed	Transporter	SLC6A2	IC50	'='	8760	nM
P30531	BXGT009432	Sodium- and chloride-dependent GABA transporter 1	reviewed	Transporter	SLC6A1	Activity	-	-	-
P30531	BXGT009432	Sodium- and chloride-dependent GABA transporter 1	reviewed	Transporter	SLC6A1	Inhibition	-	-	-
P43004	BXGT010348	Excitatory amino acid transporter 2	reviewed	Transporter	SLC1A2	IC50	'>'	100000	nM
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	IC50	'='	8000	nM
P10635	BXGT007595	Cytochrome P450 2D6	reviewed	-	CYP2D6	IC50	'='	26500	nM
Q01959	BXGT012624	Sodium-dependent dopamine transporter	reviewed	Transporter	SLC6A3	Activity	-	-	-
Q01959	BXGT012624	Sodium-dependent dopamine transporter	reviewed	Transporter	SLC6A3	Inhibition	-	-	-
P43003	BXGT010347	Excitatory amino acid transporter 1	reviewed	Transporter	SLC1A3	IC50	'>'	500000	nM
P48066	BXGT010618	Sodium- and chloride-dependent GABA transporter 3	reviewed	Transporter	SLC6A11	IC50	'>'	500000	nM
P31645	BXGT009558	Sodium-dependent serotonin transporter	reviewed	Transporter	SLC6A4	IC50	'='	175000	nM
Q01959	BXGT012624	Sodium-dependent dopamine transporter	reviewed	Transporter	SLC6A3	IC50	'='	8350	nM
P23975	BXGT008935	Sodium-dependent noradrenaline transporter	reviewed	Transporter	SLC6A2	Inhibition	-	-	-
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Kinact	'='	0	min-1
P23975	BXGT008935	Sodium-dependent noradrenaline transporter	reviewed	Transporter	SLC6A2	Activity	-	-	-
P43005	BXGT010349	Excitatory amino acid transporter 3	reviewed	Transporter	SLC1A1	IC50	'>'	500000	nM
P30531	BXGT009432	Sodium- and chloride-dependent GABA transporter 1	reviewed	Transporter	SLC6A1	IC50	'='	20600	nM
P48067	BXGT010619	Sodium- and chloride-dependent glycine transporter 1	reviewed	Transporter	SLC6A9	IC50	'>'	500000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00090	Star anise	Illicium verum	Herbs and Spices
BXGF00514	Ostrich fern	Matteuccia struthiopteris	Vegetables
BXGF00985	Tabebuia rosea	Tabebuia rosea	Human Edible Plant
BXGF01080	Piper cubeba	Piper cubeba	Medicinal Plant
BXGF01197	Lathyrus macrorrhizus	Lathyrus macrorrhizus	Others
BXGF01300	Escallonia philippiana	Escallonia philippiana	Others
BXGF01482	Aglaia meridionalis	Aglaia meridionalis	Others
BXGF01607	Arcangelisia gusanlung	Arcangelisia gusanlung	Human Edible Plant
BXGF01650	Hippocratea indica	Hippocratea indica	Others
BXGF02019	Entandrophragma cylindricum	Entandrophragma cylindricum	Others
BXGF02080	Tanacetum santolina	Tanacetum santolina	Others
BXGF02354	Dunaliella acidophila	Dunaliella acidophila	Others
BXGF02379	Leptospermum scoparium	Leptospermum scoparium	Medicinal Plant
BXGF02414	Senecio erraticus	Senecio erraticus	Others
BXGF02434	Chamaemelum scariosum	Chamaemelum scariosum	Others
BXGF02457	Magnolia acuminata	Magnolia acuminata	Medicinal Plant
BXGF02506	Ficus maxima	Ficus maxima	Medicinal Plant
BXGF02533	Timonius kaniensis	Timonius kaniensis	Others
BXGF02534	Artemisia schmidtiana	Artemisia schmidtiana	Medicinal Plant
BXGF02559	Simmondsia chinensis	Simmondsia chinensis	Human Edible Plant
BXGF02571	Millettia racemosa	Millettia racemosa	Medicinal Plant
BXGF02645	Gleichenia glauca	Gleichenia glauca	Others
BXGF02657	Juniperus thurifera	Juniperus thurifera	Others
BXGF02704	Helipterum strictum	Helipterum strictum	Others
BXGF02741	Allium ursinum	Allium ursinum	Medicinal Plant
BXGF02755	Crotalaria lechnaultii	Crotalaria lechnaultii	Others
BXGF02769	Copaifera paupera	Copaifera paupera	Others
BXGF02798	Cleidion brevipetiolatum	Cleidion brevipetiolatum	Human Edible Plant
BXGF02834	Citrus tankan	Citrus tankan	Medicinal Plant
BXGF02844	Brickellia pendula	Brickellia pendula	Others
BXGF03357	Coleus carnosus	Coleus carnosus	Medicinal Plant
BXGF04028	Plumbago europaea	Plumbago europaea	Medicinal Plant
BXGF04540	Distemonanthus benthamianus	Distemonanthus benthamianus	Medicinal Plant
BXGF04590	Asplenium adiantum-nigrum	Asplenium adiantum-nigrum	Medicinal Plant
BXGF05061	aristolochia constricta	aristolochia constricta	Medicinal Plant
BXGF05146	Hesperocyparis nevadensis	Hesperocyparis nevadensis	Others
BXGF05530	Ophioglossum vulgatum	Ophioglossum vulgatum	Medicinal Plant
BXGF05782	Ammi majus	Ammi majus	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}