acompound

Showing entry for (-)-Yatein

General Compound Information
BXGC Id	BXGC0027688
Compound Name	(-)-Yatein
Structure
Formula	C22H24O7
InchiKey	GMLDZDDTZKXJLU-JKSUJKDBSA-N
SMILES	COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc3c(c2)OCO3)cc(c1OC)OC
Inchi	InChI=1S/C22H24O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,8-10,15-16H,6-7,11-12H2,1-3H3/t15-,16+/m0/s1
IUPAC	(3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
Molecular Weight	400.15
Pubchem Id	442835
Chembl Id	CHEMBL471067

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

50241524

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	-	1000	-	-
reviewed	BXGT007595	Cytochrome P450 2D6	reviewed		CYP2D6	-	95700	-	-
reviewed	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	177	-	-	-

CHEMBL

CHEMBL471067

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
P00860	BXGT005675	Ornithine decarboxylase	reviewed	-	Odc1	Activity	'='	6	uM
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Kinact	'='	0	min-1
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	IC50	'='	1000	nM
P10635	BXGT007595	Cytochrome P450 2D6	reviewed	-	CYP2D6	IC50	'='	95700	nM
P08684	BXGT006812	Cytochrome P450 3A4	reviewed	Enzyme	CYP3A4	Ki	'='	177	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00017	Burdock	Arctium lappa	Vegetables
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
BXGF01346	Aquilaria agallochum	Aquilaria agallochum	Medicinal Plant
BXGF01482	Aglaia meridionalis	Aglaia meridionalis	Others
BXGF01607	Arcangelisia gusanlung	Arcangelisia gusanlung	Human Edible Plant
BXGF01650	Hippocratea indica	Hippocratea indica	Others
BXGF01911	Bupleurum scorzonerifolium	Bupleurum scorzonerifolium	Medicinal Plant
BXGF02019	Entandrophragma cylindricum	Entandrophragma cylindricum	Others
BXGF02080	Tanacetum santolina	Tanacetum santolina	Others
BXGF02113	Anthriscus sylvestris	Anthriscus sylvestris	Medicinal Plant
BXGF02346	Piper sylvaticum	Piper sylvaticum	Medicinal Plant
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
BXGF02595	Hyptis verticillata	Hyptis verticillata	Others
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
BXGF02804	Hernandia sonora	Hernandia sonora	Medicinal Plant
BXGF02834	Citrus tankan	Citrus tankan	Medicinal Plant
BXGF02844	Brickellia pendula	Brickellia pendula	Others
BXGF03299	Helichrysum fulvum	Helichrysum fulvum	Others
BXGF03357	Coleus carnosus	Coleus carnosus	Medicinal Plant
BXGF03531	Avena fatua	Avena fatua	Medicinal Plant
BXGF04028	Plumbago europaea	Plumbago europaea	Medicinal Plant
BXGF05146	Hesperocyparis nevadensis	Hesperocyparis nevadensis	Others
BXGF05530	Ophioglossum vulgatum	Ophioglossum vulgatum	Medicinal Plant
BXGF05782	Ammi majus	Ammi majus	Medicinal Plant
BXGF05942	Austrocedrus chilensis	Austrocedrus chilensis	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}