acompound

Showing entry for plumieride

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0033900
Compound Name	plumieride
Structure
Formula	C21H26O12
InchiKey	AOPMSFXOYJXDNJ-IRFSQMTFSA-N
SMILES	OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@H]3[C@H]2[C@]2(C=C3)OC(=O)C(=C2)[C@@H](O)C)C(=O)OC)[C@@H]([C@H]([C@@H]1O)O)O
Inchi	InChI=1S/C21H26O12/c1-8(23)10-5-21(33-18(10)28)4-3-9-11(17(27)29-2)7-30-19(13(9)21)32-20-16(26)15(25)14(24)12(6-22)31-20/h3-5,7-9,12-16,19-20,22-26H,6H2,1-2H3/t8-,9+,12+,13+,14+,15-,16+,19-,20-,21+/m0/s1
IUPAC	methyl (1S,4aS,7R,7aS)-4'-[(1S)-1-hydroxyethyl]-5'-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[4a,7a-dihydro-1H-cyclopenta[c]pyran-7,2'-furan]-4-carboxylate
Molecular Weight	470.14
Pubchem Id	72319
Chembl Id	CHEMBL464470

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
Q9WKE8	BXGT021921	Reverse transcriptase	unreviewed	-	reverse	IC50	'>'	200	ug.mL-1

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00936	Tanacetum nubigenum	Tanacetum nubigenum	Others
BXGF01559	Achillea wilhelmsii	Achillea wilhelmsii	Others
BXGF02154	Sassafras officinalis	Sassafras officinalis	Others
BXGF02225	Backhousia angustifolia	Backhousia angustifolia	Others
BXGF02248	Juniperus ashei	Juniperus ashei	Medicinal Plant
BXGF02453	Cunninghamia lanceolata var. konishii	Cunninghamia lanceolata var. konishii	Others
BXGF02532	Dioscorea villosa	Dioscorea villosa	Medicinal Plant
BXGF05194	Acacia salicina	Acacia salicina	Medicinal Plant
BXGF05710	Blighia welwitschii	Blighia welwitschii	Human Edible Plant
BXGF06240	Kalanchoe blossfeldiana	Kalanchoe blossfeldiana	Others

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}