acompound

Showing entry for 18-Oxoferruginol

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0014055
Compound Name	18-Oxoferruginol
Structure
Formula	C20H28O2
InchiKey	BYISLTMARMJFNI-SLFFLAALSA-N
SMILES	O=C[C@]1(C)CCC[C@]2([C@H]1CCc1c2cc(c(c1)C(C)C)O)C
Inchi	InChI=1S/C20H28O2/c1-13(2)15-10-14-6-7-18-19(3,12-21)8-5-9-20(18,4)16(14)11-17(15)22/h10-13,18,22H,5-9H2,1-4H3/t18-,19-,20+/m0/s1
IUPAC	(1R,4aS,10aR)-6-hydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbaldehyde
Molecular Weight	300.21
Pubchem Id	52946772
Chembl Id	CHEMBL1277662

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	Inhibition	'='	70	%
P0C6X7	BXGT007440	Replicase polyprotein 1ab	reviewed	-	rep	IC50	'='	163200	nM
P52333	BXGT010928	Tyrosine-protein kinase JAK3	reviewed	Kinase	JAK3	IC50	'>'	100	nM
Q15046	BXGT013527	Lysine--tRNA ligase	reviewed	Enzyme	KARS1	IC50	'='	34	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF04664	Torreya nucifera	Torreya nucifera	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}