acompound

Showing entry for Kampferol 3-glucoside 7-rhamnoside

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0032824
Compound Name	Kampferol 3-glucoside 7-rhamnoside
Structure
Formula	C27H30O15
InchiKey	JYXSWDCPHRTYGU-RVCYDTIBSA-N
SMILES	OC[C@H]1O[C@@H](Oc2c(oc3c(c2=O)c(O)cc(c3)O[C@@H]2O[C@@H](C)[C@@H]([C@H]([C@H]2O)O)O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O
Inchi	InChI=1S/C27H30O15/c1-9-17(31)20(34)22(36)26(38-9)39-12-6-13(30)16-14(7-12)40-24(10-2-4-11(29)5-3-10)25(19(16)33)42-27-23(37)21(35)18(32)15(8-28)41-27/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22+,23+,26-,27-/m0/s1
IUPAC	5-hydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
Molecular Weight	594.16
Pubchem Id	21606527
Chembl Id	CHEMBL1929193

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

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	BXGT007696	DNA topoisomerase 1	reviewed	Enzyme	TOP1	-	110000	-	-
reviewed	BXGT007697	DNA topoisomerase 2-alpha	reviewed		TOP2A	-	600000	-	-

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
P11388	BXGT007697	DNA topoisomerase 2-alpha	reviewed	-	TOP2A	IC50	'='	600000	nM
P11387	BXGT007696	DNA topoisomerase 1	reviewed	Enzyme	TOP1	Inhibition	'='	94	%
P11387	BXGT007696	DNA topoisomerase 1	reviewed	Enzyme	TOP1	Inhibition	'='	45	%
P11388	BXGT007697	DNA topoisomerase 2-alpha	reviewed	-	TOP2A	Inhibition	-	-	-
P11387	BXGT007696	DNA topoisomerase 1	reviewed	Enzyme	TOP1	IC50	'='	110000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00197	Broad bean	Vicia faba	Pulses
BXGF00224	Rambutan	Nephelium lappaceum	Fruits
BXGF00928	Pteris australis	Pteris australis	Others
BXGF02868	Sideritis nutans	Sideritis nutans	Others
BXGF03233	Plinia cauliflora	Plinia cauliflora	Medicinal Plant
BXGF04898	Urena lobata	Urena lobata	Medicinal Plant
BXGF04969	Xylopia brasiliensis	Xylopia brasiliensis	Others
BXGF05116	Uncaria guianensis	Uncaria guianensis	Medicinal Plant
BXGF05123	Ilex hainanensis	Ilex hainanensis	Others
BXGF05253	Canarium album	Canarium album	Medicinal Plant
BXGF05317	Melicope sarcococca	Melicope sarcococca	Others
BXGF05435	Dorycnium hirsutum	Dorycnium hirsutum	Others
BXGF05547	Morus rubra	Morus rubra	Medicinal Plant
BXGF05630	Celastrus orbiculatus	Celastrus orbiculatus	Medicinal Plant
BXGF05655	Clematis angustifolia	Clematis angustifolia	Human Edible Plant
BXGF05973	Stenomesson miniatum	Stenomesson miniatum	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}