acompound

Showing entry for gastrodin

General Compound Information
BXGC Id	BXGC0035923
Compound Name	gastrodin
Structure
Formula	C13H18O7
InchiKey	PUQSUZTXKPLAPR-UJPOAAIJSA-N
SMILES	OC[C@H]1O[C@@H](Oc2ccc(cc2)CO)[C@@H]([C@H]([C@@H]1O)O)O
Inchi	InChI=1S/C13H18O7/c14-5-7-1-3-8(4-2-7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2/t9-,10-,11+,12-,13-/m1/s1
IUPAC	(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)phenoxy]oxane-3,4,5-triol
Molecular Weight	286.11
Pubchem Id	115067
Chembl Id	CHEMBL274739

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

50177403

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	BXGT011907	4-aminobutyrate aminotransferase, mitochondrial	reviewed	Enzyme	ABAT	-	>1000000	-	-
reviewed	BXGT010872	Succinate-semialdehyde dehydrogenase, mitochondrial	reviewed	Enzyme	ALDH5A1	-	>1000000	-	-

CHEMBL

CHEMBL274739

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
P51649	BXGT010872	Succinate-semialdehyde dehydrogenase, mitochondrial	reviewed	Enzyme	ALDH5A1	IC50	'>'	1000000	nM
P80404	BXGT011907	4-aminobutyrate aminotransferase, mitochondrial	reviewed	Enzyme	ABAT	IC50	'>'	1000000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00013	Dill	Anethum graveolens	Herbs and Spices
BXGF00019	Tarragon	Artemisia dracunculus	Herbs and Spices
BXGF01495	Pleione yunnanensis	Pleione yunnanensis	Others
BXGF01540	Rhodomyrtus tomentosa	Rhodomyrtus tomentosa	Medicinal Plant
BXGF02496	Pleione bulbocodioides	Pleione bulbocodioides	Others
BXGF02499	Cremastra appendiculata	Cremastra appendiculata	Medicinal Plant
BXGF02631	Solanum torvum	Solanum torvum	Medicinal Plant
BXGF02967	Palicourea alpina	Palicourea alpina	Others
BXGF02982	Lupinus formosus	Lupinus formosus	Others
BXGF02995	Wunderlichia mirabilis	Wunderlichia mirabilis	Others
BXGF03010	Posoqueria latifolia	Posoqueria latifolia	Human Edible Plant
BXGF03026	Dicliptera riparia	Dicliptera riparia	Medicinal Plant
BXGF03036	Oxandra xylopioides	Oxandra xylopioides	Others
BXGF03091	Ilex kaushue	Ilex kaushue	Human Edible Plant
BXGF03116	Dalbergia frutescens	Dalbergia frutescens	Others
BXGF03128	Colchicum macedonicum	Colchicum macedonicum	Others
BXGF03137	Euphorbia caducifolia	Euphorbia caducifolia	Medicinal Plant
BXGF03145	Boronia muelleri	Boronia muelleri	Others
BXGF03169	Coprosma acerosa	Coprosma acerosa	Medicinal Plant
BXGF03183	Astilbe koreana	Astilbe koreana	Others
BXGF03211	Scrophularia smithii	Scrophularia smithii	Others
BXGF03302	Hypericum papuanum	Hypericum papuanum	Medicinal Plant
BXGF03329	Zilla spinosa	Zilla spinosa	Medicinal Plant
BXGF03380	Kaunia arbuscularis	Kaunia arbuscularis	Others
BXGF03397	Trifolium pratense	Trifolium pratense	Medicinal Plant
BXGF03425	Sambucus ebulus	Sambucus ebulus	Medicinal Plant
BXGF03441	Inula thapsoides	Inula thapsoides	Others
BXGF03444	Gastrodia elata	Gastrodia elata	Medicinal Plant
BXGF03453	Tylophora flava	Tylophora flava	Others
BXGF03474	Limeum pterocarpum	Limeum pterocarpum	Others
BXGF03489	Trifolium alexandrium	Trifolium alexandrium	Medicinal Plant
BXGF03498	Coptis deltoidea	Coptis deltoidea	Medicinal Plant
BXGF03517	Cassia carnaval	Cassia carnaval	Others
BXGF03537	Salix sieboldiana	Salix sieboldiana	Others
BXGF03868	Dillenia papuana	Dillenia papuana	Others
BXGF04855	Cranfillia vulcanica	Cranfillia vulcanica	Others
BXGF05336	Tanacetum santolinoides	Tanacetum santolinoides	Human Edible Plant
BXGF05338	Persicaria thunbergii	Persicaria thunbergii	Medicinal Plant
BXGF05738	Salvia xalapensis	Salvia xalapensis	Others
BXGF06053	Ficus elastica	Ficus elastica	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}