acompound

Showing entry for rabdosiin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0035474
Compound Name	rabdosiin
Structure
Formula	C36H30O16
InchiKey	VKWZFIDWHLCPHJ-SEVDZJIVSA-N
SMILES	OC(=O)[C@H](OC(=O)C1=Cc2cc(O)c(cc2[C@H]([C@@H]1C(=O)O[C@@H](C(=O)O)Cc1ccc(c(c1)O)O)c1ccc(c(c1)O)O)O)Cc1ccc(c(c1)O)O
Inchi	InChI=1S/C36H30O16/c37-21-4-1-15(7-24(21)40)9-29(33(45)46)51-35(49)20-11-18-13-27(43)28(44)14-19(18)31(17-3-6-23(39)26(42)12-17)32(20)36(50)52-30(34(47)48)10-16-2-5-22(38)25(41)8-16/h1-8,11-14,29-32,37-44H,9-10H2,(H,45,46)(H,47,48)/t29-,30-,31-,32-/m1/s1
IUPAC	(2R)-2-[(1R,2S)-3-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-1-(3,4-dihydroxyphenyl)-6,7-dihydroxy-1,2-dihydronaphthalene-2-carbonyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid
Molecular Weight	718.15
Pubchem Id	471121
Chembl Id	CHEMBL355103

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
P11387	BXGT007696	DNA topoisomerase 1	reviewed	Enzyme	TOP1	Inhibition	'='	100	%
Q02880	BXGT012677	DNA topoisomerase 2-beta	reviewed	-	TOP2B	Inhibition	'='	100	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01110	Eucalyptus coccifera	Eucalyptus coccifera	Others
BXGF01134	Arnebia euchroma	Arnebia euchroma	Medicinal Plant
BXGF06175	Rhizomnium magnifolium	Rhizomnium magnifolium	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}