Androstenedione

Representations & DB's id
ChEBI:	CHEBI:16422
ChEMBL:	CHEMBL274826
PubChem:	6128
IUPAC:	(8R,9S,10R,13S,14S)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
Standard InChI:	InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1
Standard InChI Key:	AEMFNILZOJDQLW-QAGGRKNESA-N
SMILES:	O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C)C

Molecular propeties
AlogP:	4.09
Hydrogen bonds acceptors:	2
Hydrogen bonds donors:	0
Rotatable bonds:	0
Number of rings:	4
Molecular Weight:	286.19
Topological polar surface area:	34.1
Number of aromatic rings:	0
Fsp3:	0.789
Number of carbons:	19

Plant sources

Part of plant	Plant name	Ref.
Semen	Linum usitatissimum
Pollen Or Spore	Pinus sylvestris

Activity Type	Activity Value	Target Name	UniProt ID
Others	24 %	Estradiol 17-beta-dehydrogenase 3	P37058
Others	78 %	Estradiol 17-beta-dehydrogenase 3	P37058
IC50	758 nM	Estradiol 17-beta-dehydrogenase 3	P37058
Others	0.177 Amax nM-1	Cytochrome P450 19A1	P11511
Ki	20 nM	Cytochrome P450 19A1	P11511
Others	24 %	Estradiol 17-beta-dehydrogenase 3	P37058
Others	78 %	Estradiol 17-beta-dehydrogenase 3	P37058
IC50	758 nM	Estradiol 17-beta-dehydrogenase 3	P37058
Kd	34.67 nM	Testis-specific androgen-binding protein	P04278
Others	65.1 %	Solute carrier family 22 member 1	O15245
Others	21 %	Aldo-keto-reductase family 1 member C3	P42330
Others	45 %	Aldo-keto-reductase family 1 member C3	P42330
Potency	10000 nM	Prelamin-A/C	P02545
Potency	6.3 nM	Survival motor neuron protein	Q16637
Potency	3162.3 nM	Survival motor neuron protein	Q16637
Potency	12.6 nM	Aldehyde dehydrogenase 1A1	P00352
Potency	84921.4 nM	Peripheral myelin protein 22	Q01453
Potency	39810.7 nM	MAP kinase ERK2	P28482
Potency	251188.6 nM	Bloom syndrome protein	P54132
Potency	25118.9 nM	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	Q99714
Potency	251.2 nM	Neuropeptide S receptor	Q6W5P4
Potency	251188.6 nM	Bloom syndrome protein	P54132
Potency	33498.3 nM	Geminin	O75496
Potency	23109.3 nM	Geminin	O75496
Potency	31622.8 nM	Nuclear factor NF-kappa-B p105 subunit	P19838
Potency	66824.2 nM	Nuclear factor erythroid 2-related factor 2	Q16236
Potency	74978 nM	Interleukin-8	P10145
Potency	33491.5 nM	Nuclear receptor ROR-gamma	P51449
Potency	33491.5 nM	Nuclear receptor ROR-gamma	P51449
Ki	35 nM	Cytochrome P450 19A1	P11511