acompound

Showing entry for ginsenoside Rb1

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0027438
Compound Name	ginsenoside Rb1
Structure
Formula	C54H92O23
InchiKey	GZYPWOGIYAIIPV-JBDTYSNRSA-N
SMILES	OC[C@H]1O[C@@H](O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]2([C@@H]3C[C@@H](O)[C@H]3[C@@]2(C)CC[C@@H]3[C@@](O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@H]([C@@H]([C@H]3O)O)O)[C@H]([C@@H]([C@H]2O)O)O)(CCC=C(C)C)C)C)C)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]
Inchi	InChI=1S/C54H92O23/c1-23(2)10-9-14-54(8,77-48-44(69)40(65)37(62)29(74-48)22-70-46-42(67)38(63)34(59)26(19-55)71-46)24-11-16-53(7)33(24)25(58)18-31-51(5)15-13-32(50(3,4)30(51)12-17-52(31,53)6)75-49-45(41(66)36(61)28(21-57)73-49)76-47-43(68)39(64)35(60)27(2
IUPAC	(2R,3R,4S,5S,6R)-2-[[(2R,3S,4S,5R,6S)-6-[(2S)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,
Molecular Weight	1108.6
Pubchem Id	9898279
Chembl Id	CHEMBL501515

Targets of Information Source

DrugBank

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
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	nutraceutical	inhibitor

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	BXGT007697	DNA topoisomerase 2-alpha	reviewed		TOP2A	-	>250000	-	-
reviewed	BXGT007696	DNA topoisomerase 1	reviewed	Enzyme	TOP1	-	>250000	-	-

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
P11388	BXGT007697	DNA topoisomerase 2-alpha	reviewed	-	TOP2A	IC50	'>'	250000	nM
P11387	BXGT007696	DNA topoisomerase 1	reviewed	Enzyme	TOP1	IC50	'>'	250000	nM
O75874	BXGT005157	Isocitrate dehydrogenase [NADP] cytoplasmic	reviewed	-	IDH1	Activity	'='	104	%
O75874	BXGT005157	Isocitrate dehydrogenase [NADP] cytoplasmic	reviewed	-	IDH1	Activity	'='	116	%
Q9Y478	BXGT022271	5'-AMP-activated protein kinase subunit beta-1	reviewed	Kinase	PRKAB1	EC50	'='	16	nM
P54619	BXGT011060	5'-AMP-activated protein kinase subunit gamma-1	reviewed	Kinase	PRKAG1	EC50	'='	16	nM
P54646	BXGT011062	5'-AMP-activated protein kinase catalytic subunit alpha-2	reviewed	Kinase	PRKAA2	EC50	'='	16	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01279	Coleostephus myconis	Coleostephus myconis	Medicinal Plant
BXGF01505	Gynostemma pentaphyllum	Gynostemma pentaphyllum	Medicinal Plant
BXGF02276	Synotis alata	Synotis alata	Others
BXGF03130	Panax quinquefolius	Panax quinquefolius	Medicinal Plant
BXGF03348	Panax notoginseng	Panax notoginseng	Medicinal Plant
BXGF04534	Panax japonicus	Panax japonicus	Medicinal Plant
BXGF04820	Panax ginseng	Panax ginseng	0
BXGF06171	Dahlia pinnata	Dahlia pinnata	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}