acompound

Showing entry for Bicolosin B

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0023619
Compound Name	Bicolosin B
Structure
Formula	C31H38O4
InchiKey	HIFJVFRJNUZYGI-NVKVKWIFSA-N
SMILES	C/C(=C\Cc1cc2c(cc1O)OC[C@@H]1[C@H]2Oc2c1cc(c(c2CC=C(C)C)O)C)/CCC=C(C)C
Inchi	InChI=1S/C31H38O4/c1-18(2)8-7-9-20(5)11-12-22-15-25-28(16-27(22)32)34-17-26-24-14-21(6)29(33)23(13-10-19(3)4)30(24)35-31(25)26/h8,10-11,14-16,26,31-33H,7,9,12-13,17H2,1-6H3/b20-11+/t26-,31-/m0/s1
IUPAC	(6aR,11aR)-2-[(2E)-3,7-dimethylocta-2,6-dienyl]-8-methyl-10-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
Molecular Weight	474.28
Pubchem Id	56665359
Chembl Id	CHEMBL1835716

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	BXGT007573	Sialidase	reviewed		nanH	1200	-	-	-
reviewed	BXGT007573	Sialidase	reviewed		nanH	-	1060	-	-

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
P10481	BXGT007573	Sialidase	reviewed	-	nanH	IC50	'='	1060	nM
P10481	BXGT007573	Sialidase	reviewed	-	nanH	Ki	'='	1200	nM
P10481	BXGT007573	Sialidase	reviewed	-	nanH	Inhibition	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00878	Lespedeza bicolor	Lespedeza bicolor	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}