acompound

Showing entry for 15-hydroxysclerosporin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0038094
Compound Name	15-hydroxysclerosporin
Structure
Formula	C15H22O3
InchiKey	YHQBOWLIXXWZPY-MBNYWOFBSA-N
SMILES	OCC1=C[C@H]2[C@@H](CC1)C(=CC[C@@H]2C(C)C)C(=O)O
Inchi	InChI=1S/C15H22O3/c1-9(2)11-5-6-13(15(17)18)12-4-3-10(8-16)7-14(11)12/h6-7,9,11-12,14,16H,3-5,8H2,1-2H3,(H,17,18)/t11-,12+,14-/m1/s1
IUPAC	(4R,4aS,8aR)-6-(hydroxymethyl)-4-propan-2-yl-3,4,4a,7,8,8a-hexahydronaphthalene-1-carboxylic acid
Molecular Weight	250.16
Pubchem Id	45380211
Chembl Id	CHEMBL1087672

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
P08246	BXGT006756	Neutrophil elastase	reviewed	Enzyme	ELANE	Inhibition	-	-	-
Q00535	BXGT012534	Cyclin-dependent-like kinase 5	reviewed	Kinase	CDK5	Inhibition	-	-	-
Q13627	BXGT013385	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	reviewed	Kinase	DYRK1A	Inhibition	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01541	Rumex patientia	Rumex patientia	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}