acompound

Showing entry for Linamarin

General Compound Information
BXGC Id	BXGC0005610
Compound Name	Linamarin
Structure
Formula	C10H17NO6
InchiKey	QLTCHMYAEJEXBT-ZEBDFXRSSA-N
SMILES	[H][C@]1(O)[C@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(OC(C)(C)C#N)[C@]1([H])O
Inchi	InChI=1S/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3/t5-,6-,7+,8-,9+/m1/s1
IUPAC	2-methyl-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propanenitrile
Molecular Weight	247.25
Pubchem Id	11128
Chembl Id	CHEMBL3039425

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

n.a

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

CHEMBL

CHEMBL3039425

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
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	131	%
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	97	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00038	Tea	Camellia sinensis	Teas
BXGF00076	Loquat	Eriobotrya japonica	Fruits
BXGF00101	Flaxseed	Linum usitatissimum	Herbs and Spices
BXGF00133	Lima bean	Phaseolus lunatus	Pulses
BXGF00298	Cassava	Manihot esculenta	Vegetables
BXGF00813	Coffee and coffee products		Coffee and coffee products
BXGF00818	Herbs and Spices		Herbs and Spices
BXGF00819	Pulses		Pulses
BXGF00824	Green vegetables		Vegetables
BXGF00825	Root vegetables		Vegetables
BXGF01054	Haemanthus toxicarius	Haemanthus toxicarius	Others
BXGF01973	Lonicera japonica	Lonicera japonica	Medicinal Plant
BXGF02051	Senna sophera	Senna sophera	Medicinal Plant
BXGF02319	Baccharis solieri	Baccharis solieri	Others
BXGF02739	Calophyllum thwaitesii	Calophyllum thwaitesii	Others
BXGF02836	Senecio polyodon	Senecio polyodon	Medicinal Plant
BXGF02996	Echinocystis lobata	Echinocystis lobata	Others
BXGF03152	Sophora japonica	Sophora japonica	Medicinal Plant
BXGF03193	Felicia amelloides	Felicia amelloides	Others
BXGF03287	Arnica viscosa	Arnica viscosa	Others
BXGF03340	Berberis crataegina	Berberis crataegina	Human Edible Plant
BXGF03360	Paramignya griffithii	Paramignya griffithii	Medicinal Plant
BXGF03440	Pteris inaequalis	Pteris inaequalis	Medicinal Plant
BXGF03486	Calceolaria thyrsiflora	Calceolaria thyrsiflora	Others
BXGF03494	Crataegus pontica	Crataegus pontica	Medicinal Plant
BXGF03505	Helenium quadridentatum	Helenium quadridentatum	Others
BXGF03526	Athanasia dregeana	Athanasia dregeana	Others
BXGF03549	Acacia cambagei	Acacia cambagei	Human Edible Plant
BXGF03555	Aster alpinus	Aster alpinus	Garden Plant
BXGF03741	Phlomoides medicinalis	Phlomoides medicinalis	Others
BXGF04553	Melaleuca decora	Melaleuca decora	Others
BXGF04699	Coptis trifolia subsp. groenlandica	Coptis trifolia subsp. groenlandica	Medicinal Plant
BXGF05270	Pelargonium graveolens	Pelargonium graveolens	Medicinal Plant
BXGF05853	Cannabis sativa	Cannabis sativa	Medicinal Plant
BXGF05980	Podocarpus montanus	Podocarpus montanus	Medicinal Plant
BXGF06055	Schisandra arisanensis	Schisandra arisanensis	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}