acompound

Showing entry for Testolactone

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0040812
Compound Name	Testolactone
Structure
Formula	C19H24O3
InchiKey	BPEWUONYVDABNZ-DZBHQSCQSA-N
SMILES	O=C1C=C[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC(=O)O2)C)C
Inchi	InChI=1S/C19H24O3/c1-18-9-7-13(20)11-12(18)3-4-14-15(18)8-10-19(2)16(14)5-6-17(21)22-19/h7,9,11,14-16H,3-6,8,10H2,1-2H3/t14-,15+,16+,18+,19+/m1/s1
IUPAC	(4aS,4bR,10aR,10bS,12aS)-10a,12a-dimethyl-4,4a,4b,5,6,10b,11,12-octahydro-3H-naphtho[2,1-f]chromene-2,8-dione
Molecular Weight	300.17
Pubchem Id	13769
Chembl Id	CHEMBL1571

Targets of Information Source

DrugBank

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
P11511	BXGT007717	Aromatase	reviewed	Enzyme	CYP19A1	approved; investigational	inhibitor

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	BXGT007717	Aromatase	reviewed	Enzyme	CYP19A1	35000	-	-	-

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
P11511	BXGT007717	Aromatase	reviewed	Enzyme	CYP19A1	Ki	'='	35000	nM
P22443	BXGT008768	Aromatase	reviewed	-	Cyp19a1	Inhibition	'='	22	%
P11511	BXGT007717	Aromatase	reviewed	Enzyme	CYP19A1	kinact	'='	0	s-1
Q8BW75	BXGT017924	Amine oxidase [flavin-containing] B	reviewed	-	Maob	Activity	-	-	-
Q64133	BXGT016109	Amine oxidase [flavin-containing] A	reviewed	-	Maoa	Activity	-	-	-
P22443	BXGT008768	Aromatase	reviewed	-	Cyp19a1	Inhibition	'='	16	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF03660	Microcos paniculata	Microcos paniculata	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}