acompound

Showing entry for Alcesefoliside

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0015492
Compound Name	Alcesefoliside
Structure
Formula	C33H40O20
InchiKey	HKNBJSRIYRDSLB-MIORVHIISA-N
SMILES	Oc1cc(O)c2c(c1)oc(c(c2=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)[C@@H]([C@@H]([C@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O)O)c1ccc(c(c1)O)O
Inchi	InChI=1S/C33H40O20/c1-9-19(38)23(42)26(45)31(48-9)47-8-17-21(40)25(44)30(53-32-27(46)24(43)20(39)10(2)49-32)33(51-17)52-29-22(41)18-15(37)6-12(34)7-16(18)50-28(29)11-3-4-13(35)14(36)5-11/h3-7,9-10,17,19-21,23-27,30-40,42-46H,8H2,1-2H3/t9-,10-,17+,19-,20-,
IUPAC	2-(3,4-dihydroxyphenyl)-3-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5,7-dihydroxychromen-4-one
Molecular Weight	756.21
Pubchem Id	11828754
Chembl Id	CHEMBL444468

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
P07943	BXGT006700	Aldo-keto reductase family 1 member B1	reviewed	-	Akr1b1	Inhibition	'='	40	%
P07943	BXGT006700	Aldo-keto reductase family 1 member B1	reviewed	-	Akr1b1	IC50	'>'	30000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01083	Elymus repens	Elymus repens	Medicinal Plant
BXGF01624	Acacia pachyphloia	Acacia pachyphloia	Others
BXGF02303	Centipeda cunninghami	Centipeda cunninghami	Others
BXGF02924	Lavandula dentata	Lavandula dentata	Medicinal Plant
BXGF03078	Chrysanthemum x morifolium	Chrysanthemum x morifolium	Medicinal Plant
BXGF03245	Pyrus ussuriensis	Pyrus ussuriensis	Medicinal Plant
BXGF03325	Hyperbaena columbica	Hyperbaena columbica	Others
BXGF03370	Maytenus aquifolium	Maytenus aquifolium	Others
BXGF03411	Valeriana wolgensis	Valeriana wolgensis	Others
BXGF03459	Cyanostegia microphylla	Cyanostegia microphylla	Others
BXGF03473	Maytenus cuzcoina	Maytenus cuzcoina	Others
BXGF03484	Ranunculus sceleratus	Ranunculus sceleratus	Medicinal Plant
BXGF03548	Euphorbia leuconeura	Euphorbia leuconeura	Others
BXGF04222	Viburnum grandifolium	Viburnum grandifolium	Others
BXGF04712	Prunus mume	Prunus mume	Medicinal Plant
BXGF05076	Anemone narcissiflora	Anemone narcissiflora	Medicinal Plant
BXGF06170	Asclepias curassavica	Asclepias curassavica	Medicinal Plant
BXGF06305	Isocoma pluriflora	Isocoma pluriflora	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}