acompound

Showing entry for Iguesterin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0039186
Compound Name	Iguesterin
Structure
Formula	C28H36O2
InchiKey	FLMDVQMCMIGPEK-IPTPSVHJSA-N
SMILES	CC1=CC[C@]2([C@@H](C1)[C@]1(C)CC[C@@]3(C(=CC=C4C3=CC(=O)C(=C4C)O)[C@]1(CC2)C)C)C
Inchi	InChI=1S/C28H36O2/c1-17-9-10-25(3)11-13-27(5)22-8-7-19-18(2)24(30)21(29)16-20(19)26(22,4)12-14-28(27,6)23(25)15-17/h7-9,16,23,30H,10-15H2,1-6H3/t23-,25-,26+,27-,28+/m1/s1
IUPAC	(6aS,6bS,8aS,12aR,14aR)-3-hydroxy-4,6a,6b,8a,11,14a-hexamethyl-8,9,12,12a,13,14-hexahydro-7H-picen-2-one
Molecular Weight	404.27
Pubchem Id	46881919
Chembl Id	CHEMBL1092796

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
P0C6X7	BXGT007440	Replicase polyprotein 1ab	reviewed	-	rep	IC50	'='	2600	nM
P0C6X7	BXGT007440	Replicase polyprotein 1ab	reviewed	-	rep	Ki	'='	800	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02373	Chisocheton siamensis	Chisocheton siamensis	Medicinal Plant
BXGF03821	Centaurea hololeuca	Centaurea hololeuca	Others
BXGF03985	Peperomia heyneana	Peperomia heyneana	Others
BXGF03998	Beaumontia brevituba	Beaumontia brevituba	Others
BXGF04220	Iryanthera juruensis	Iryanthera juruensis	Medicinal Plant
BXGF04267	Astragalus pamirensis	Astragalus pamirensis	Others
BXGF04375	Coleus coerulescens	Coleus coerulescens	Others
BXGF04417	Mandragora officinarum	Mandragora officinarum	Medicinal Plant
BXGF06098	Rohdea wattii	Rohdea wattii	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}