acompound

Showing entry for Shimobashiric Acid C

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0030378
Compound Name	Shimobashiric Acid C
Structure
Formula	C36H32O16
InchiKey	SUYLTDFWHNXGDX-DFPPRZEMSA-N
SMILES	OC(=O)[C@@H](Cc1ccc(c(c1)O)O)OC(=O)[C@H]1[C@H](C(=O)O[C@@H](C(=O)O)Cc2ccc(c(c2)O)O)[C@@H]([C@H]1c1ccc(c(c1)O)O)c1ccc(c(c1)O)O
Inchi	InChI=1S/C36H32O16/c37-19-5-1-15(9-23(19)41)11-27(33(45)46)51-35(49)31-29(17-3-7-21(39)25(43)13-17)30(18-4-8-22(40)26(44)14-18)32(31)36(50)52-28(34(47)48)12-16-2-6-20(38)24(42)10-16/h1-10,13-14,27-32,37-44H,11-12H2,(H,45,46)(H,47,48)/t27-,28-,29-,30-,31-,
IUPAC	(2R)-2-[(1R,2R,3R,4R)-2-[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl-3,4-bis(3,4-dihydroxyphenyl)cyclobutanecarbonyl]oxy-3-(3,4-dihydroxyphenyl)propanoic acid
Molecular Weight	720.17
Pubchem Id	76335838
Chembl Id	CHEMBL3113338

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	BXGT006354	Transcription factor AP-1	reviewed	Transcription factor	JUN	-	1300	-	-

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
P05412	BXGT006354	Transcription factor AP-1	reviewed	Transcription factor	JUN	IC50	'='	1300	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF03509	Plectranthus amboinicus	Plectranthus amboinicus	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}