acompound

Showing entry for Liriodendrtachioside

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0053259
Compound Name	Liriodendrtachioside
Structure
Formula	C34H46O18
InchiKey	FFDULTAFAQRACT-IHHOVKAUSA-N
SMILES	OC[C@@H]1O[C@H](Oc2c(OC)cc(cc2OC)[C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(c(c2)OC)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)[C@H]([C@@H]([C@H]1O)O)O
Inchi	InChI=1S/C34H46O18/c1-43-17-5-13(6-18(44-2)31(17)51-33-27(41)25(39)23(37)21(9-35)49-33)29-15-11-48-30(16(15)12-47-29)14-7-19(45-3)32(20(8-14)46-4)52-34-28(42)26(40)24(38)22(10-36)50-34/h5-8,15-16,21-30,33-42H,9-12H2,1-4H3/t15-,16-,21-,22+,23-,24+,25+,26-,
IUPAC	(2R,3S,4R,5R,6S)-2-[4-[(3S,3aR,6S,6aR)-6-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Weight	742.27
Pubchem Id	44202792
Chembl Id	CHEMBL505393

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

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
P17405	BXGT008304	Sphingomyelin phosphodiesterase	reviewed	Enzyme	SMPD1	Potency	-	25118	nM
O95149	BXGT005350	Snurportin-1	reviewed	-	SNUPN	Potency	-	17782	nM
Q14974	BXGT013516	Importin subunit beta-1	reviewed	Transporter	KPNB1	Potency	-	17782	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	651	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00198	Adzuki bean	Vigna angularis	Pulses
BXGF00201	Climbing bean	Vigna umbellata	Pulses
BXGF00979	Cistanche deserticola	Cistanche deserticola	Medicinal Plant
BXGF01260	Eleutherococcus senticosus	Eleutherococcus senticosus	Medicinal Plant
BXGF02359	Eucommia ulmoides	Eucommia ulmoides	Medicinal Plant
BXGF02642	Vigna umbeuata	Vigna umbeuata	Others
BXGF03063	Gentiana straminea	Gentiana straminea	Medicinal Plant
BXGF03078	Chrysanthemum x morifolium	Chrysanthemum x morifolium	Medicinal Plant
BXGF03207	Kalopanax septemlobus	Kalopanax septemlobus	Medicinal Plant
BXGF03269	Iodes cirrhosa	Iodes cirrhosa	Others
BXGF03432	Chrysanthemum indicum	Chrysanthemum indicum	Medicinal Plant
BXGF03516	Gentiana macrophylla	Gentiana macrophylla	Medicinal Plant
BXGF04357	Gentiana dahurica	Gentiana dahurica	Medicinal Plant
BXGF04607	Morus alba	Morus alba	Medicinal Plant
BXGF04872	Glycyrrhiza glabra	Glycyrrhiza glabra	Medicinal Plant
BXGF05124	Gentiana crassicaulis	Gentiana crassicaulis	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}