Showing entry for Androstenedione


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0017757
Compound NameAndrostenedione
Structure
FormulaC19H26O2
InchiKeyAEMFNILZOJDQLW-QAGGRKNESA-N
SMILESO=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C)C
InchiInChI=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
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
Molecular Weight286.19
Pubchem Id6128
Chembl IdCHEMBL274826
Targets of Information Source
DrugBank DB01536
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
P14061 BXGT007979 Estradiol 17-beta-dehydrogenase 1 reviewed Enzyme HSD17B1 experimental; illicit inducer
P14060 BXGT007978 3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type 1 reviewed Enzyme HSD3B1 experimental; illicit positive allosteric modulator
Q00441 BXGT012519 6-deoxyerythronolide B hydroxylase reviewed - eryF experimental; illicit inducer
P42330 BXGT010301 Aldo-keto reductase family 1 member C3 reviewed Enzyme AKR1C3 experimental; illicit inducer
PDB ASD
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
Q00441 BXGT012519 6-deoxyerythronolide B hydroxylase reviewed eryF - - - - -
P14061 BXGT007979 Estradiol 17-beta-dehydrogenase 1 reviewed HSD17B1 Enzyme - - - -
P42330 BXGT010301 Aldo-keto reductase family 1 member C3 reviewed AKR1C3 Enzyme - - - -
P09210 BXGT006868 Glutathione S-transferase A2 reviewed GSTA2 - - - - -
Q16772 BXGT013666 Glutathione S-transferase A3 reviewed GSTA3 - - - - -
P51857 BXGT010899 Aldo-keto reductase family 1 member D1 reviewed AKR1D1 Enzyme - - - -
P11511 BXGT007717 Aromatase reviewed CYP19A1 Enzyme - - - -
P9WPP1 BXGT012466 Steroid C26-monooxygenase reviewed cyp125 - - - - -
P00947 BXGT005698 Steroid Delta-isomerase reviewed ksi - - - - -
Q0S4Q9 BXGT013153 Possible succinate dehydrogenase unreviewed RHA1_ro05698 - - - - -
Q5YNS8 BXGT015917 Cytochrome P450 monooxygenase unreviewed NFA_53110 - - - - -
P71875 BXGT011698 3-ketosteroid-9-alpha-monooxygenase, oxygenase component reviewed kshA - - - - -
F1CMY8 BXGT003206 3-ketosteroid-9-alpha-monooxygenase, oxygenase component reviewed kshA - - - - -
P52895 BXGT010961 Aldo-keto reductase family 1 member C2 reviewed AKR1C2 Enzyme - - - -
P07445 BXGT006626 Steroid Delta-isomerase reviewed ksi - - - - -
Binding DB 91713
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 BXGT006430 Cholinesterase reviewed BCHE - 1550 - -
reviewed BXGT006389 Beta-glucuronidase reviewed uidA - 430000 - -
reviewed BXGT009515 3-oxo-5-alpha-steroid 4-dehydrogenase 2 reviewed Enzyme SRD5A2 - 84 - -
reviewed BXGT008400 3-oxo-5-alpha-steroid 4-dehydrogenase 1 reviewed Enzyme SRD5A1 - 2700 - -
reviewed BXGT004737 Testosterone 17-beta-dehydrogenase 3 reviewed Hsd17b3 - 169 - -
reviewed BXGT009956 Testosterone 17-beta-dehydrogenase 3 reviewed HSD17B3 - 758 - -
reviewed BXGT008096 Androgen receptor reviewed Ar - 64 - -
reviewed BXGT009956 Testosterone 17-beta-dehydrogenase 3 reviewed HSD17B3 - 650 - -
reviewed BXGT009956 Testosterone 17-beta-dehydrogenase 3 reviewed HSD17B3 - 489 - -
reviewed BXGT008096 Androgen receptor reviewed Ar - 1288.25 - -
reviewed BXGT006182 Sex hormone-binding globulin reviewed SHBG - - 35 -
CHEMBL CHEMBL274826
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
Q03181 BXGT012701 Peroxisome proliferator-activated receptor delta reviewed Nuclear receptor PPARD Potency - 31622 nM
P11511 BXGT007717 Aromatase reviewed Enzyme CYP19A1 Activity '=' 0 Amax nM-1
P11511 BXGT007717 Aromatase reviewed Enzyme CYP19A1 Effect '=' 175 -
P37058 BXGT009956 Testosterone 17-beta-dehydrogenase 3 reviewed - HSD17B3 IC50 '=' 489 nM
P04278 BXGT006182 Sex hormone-binding globulin reviewed - SHBG Log 1/K '=' -7 -
P15207 BXGT008096 Androgen receptor reviewed - Ar IC50 '=' 64 nM
P15207 BXGT008096 Androgen receptor reviewed - Ar Relative binding affinity '=' 1 -
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 23109 nM
P11511 BXGT007717 Aromatase reviewed Enzyme CYP19A1 Ks '=' 105 nM
P08185 BXGT006742 Corticosteroid-binding globulin reviewed Enzyme modulator SERPINA6 Log K '=' 5 -
P08185 BXGT006742 Corticosteroid-binding globulin reviewed Enzyme modulator SERPINA6 Log 1/K '=' -5 -
Q194T2 BXGT013743 Non-structural protein 1 unreviewed - NS1 Potency '=' 35481 nM
Q12809 BXGT013267 Potassium voltage-gated channel subfamily H member 2 reviewed Ion channel KCNH2 Potency - 31622 nM
P15207 BXGT008096 Androgen receptor reviewed - Ar IC50 '=' 1288 nM
P22443 BXGT008768 Aromatase reviewed - Cyp19a1 Mean '=' 138 -
Q01453 BXGT012588 Peripheral myelin protein 22 reviewed Cellular structure PMP22 Potency '=' 84921 nM
Q99714 BXGT019954 3-hydroxyacyl-CoA dehydrogenase type-2 reviewed Enzyme HSD17B10 Potency '=' 25118 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 23109 nM
P19838 BXGT008526 Nuclear factor NF-kappa-B p105 subunit reviewed Transcription factor NFKB1 Potency - 31622 nM
O15245 BXGT004141 Solute carrier family 22 member 1 reviewed Transporter SLC22A1 Inhibition '=' 65 %
P42330 BXGT010301 Aldo-keto reductase family 1 member C3 reviewed Enzyme AKR1C3 Inhibition '=' 45 %
P10275 BXGT007552 Androgen receptor reviewed Nuclear receptor AR Potency - 223 nM
P04278 BXGT006182 Sex hormone-binding globulin reviewed - SHBG Kd '=' 34 nM
P28482 BXGT009263 Mitogen-activated protein kinase 1 reviewed Kinase MAPK1 Potency '=' 39810 nM
P37058 BXGT009956 Testosterone 17-beta-dehydrogenase 3 reviewed - HSD17B3 Inhibition '=' 78 %
P84022 BXGT012027 Mothers against decapentaplegic homolog 3 reviewed Transcription factor SMAD3 Potency - 6309 nM
P11511 BXGT007717 Aromatase reviewed Enzyme CYP19A1 Km '=' 60 nM
O35627 BXGT004535 Nuclear receptor subfamily 1 group I member 3 reviewed - Nr1i3 Remaining activity '=' 56 %
P37058 BXGT009956 Testosterone 17-beta-dehydrogenase 3 reviewed - HSD17B3 IC50 '=' 758 nM
Q03181 BXGT012701 Peroxisome proliferator-activated receptor delta reviewed Nuclear receptor PPARD Potency - 50118 nM
Q9GK37 BXGT020404 Corticosteroid-binding globulin reviewed - Serpina6 Log 1/K '=' 5 -
Q9WKE8 BXGT021921 Reverse transcriptase unreviewed - reverse IC50 '>' 200 ug.mL-1
P49798 BXGT010745 Regulator of G-protein signaling 4 reviewed Enzyme modulator RGS4 Potency - 6 nM
P22443 BXGT008768 Aromatase reviewed - Cyp19a1 Mean '=' 202 -
P08185 BXGT006742 Corticosteroid-binding globulin reviewed Enzyme modulator SERPINA6 Ki '=' 1737 nM
P22443 BXGT008768 Aromatase reviewed - Cyp19a1 Mean '=' 187 -
P54132 BXGT011032 Bloom syndrome protein reviewed - BLM Potency '=' 251188 nM
Q16637 BXGT013646 Survival motor neuron protein reviewed Epigenetic regulator SMN1 Potency '=' 6 nM
P04278 BXGT006182 Sex hormone-binding globulin reviewed - SHBG Log 1/K '=' 7 -
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 2818 nM
P37058 BXGT009956 Testosterone 17-beta-dehydrogenase 3 reviewed - HSD17B3 Inhibition '=' 24 %
P08185 BXGT006742 Corticosteroid-binding globulin reviewed Enzyme modulator SERPINA6 #NAME? '=' 4 -
P11511 BXGT007717 Aromatase reviewed Enzyme CYP19A1 Km '=' 30 nM
P11511 BXGT007717 Aromatase reviewed Enzyme CYP19A1 Effect '=' 202 -
Q03181 BXGT012701 Peroxisome proliferator-activated receptor delta reviewed Nuclear receptor PPARD Potency - 39810 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 35481 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 12 nM
P19793 BXGT008515 Retinoic acid receptor RXR-alpha reviewed Nuclear receptor RXRA Potency - 7079 nM
P42330 BXGT010301 Aldo-keto reductase family 1 member C3 reviewed Enzyme AKR1C3 Inhibition '=' 21 %
P04278 BXGT006182 Sex hormone-binding globulin reviewed - SHBG #NAME? '=' 6 -
P11511 BXGT007717 Aromatase reviewed Enzyme CYP19A1 Ki '=' 35 nM
P51449 BXGT010846 Nuclear receptor ROR-gamma reviewed Nuclear receptor RORC Potency - 33491 nM
P11511 BXGT007717 Aromatase reviewed Enzyme CYP19A1 Km '=' 57 nM
P37058 BXGT009956 Testosterone 17-beta-dehydrogenase 3 reviewed - HSD17B3 IC50 '=' 650 nM
Q6W5P4 BXGT016588 Neuropeptide S receptor reviewed - NPSR1 Potency '=' 251 nM
P11511 BXGT007717 Aromatase reviewed Enzyme CYP19A1 IC50 '=' 300 nM
P03372 BXGT006059 Estrogen receptor reviewed Nuclear receptor ESR1 Potency - 5011 nM
P03372 BXGT006059 Estrogen receptor reviewed Nuclear receptor ESR1 Potency - 14125 nM
P04150 BXGT006154 Glucocorticoid receptor reviewed Nuclear receptor NR3C1 Potency - 2818 nM
P08185 BXGT006742 Corticosteroid-binding globulin reviewed Enzyme modulator SERPINA6 Log 1/K '=' 5 -
P11511 BXGT007717 Aromatase reviewed Enzyme CYP19A1 Ki '=' 20 nM
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 10000 nM
P04150 BXGT006154 Glucocorticoid receptor reviewed Nuclear receptor NR3C1 Potency - 12589 nM
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 89125 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 33498 nM
P25094 BXGT009014 Peripheral myelin protein 22 reviewed - Pmp22 Potency - 10181 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 29855 nM
P11511 BXGT007717 Aromatase reviewed Enzyme CYP19A1 IC50 '>=' 260 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 66824 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 18356 nM
P06186 BXGT006419 Progesterone receptor reviewed - PGR log(RBA) '=' -1 -
P10145 BXGT007542 Interleukin-8 reviewed Signaling CXCL8 Potency - 74978 nM
Q13148 BXGT013318 TAR DNA-binding protein 43 reviewed - TARDBP Potency - 35481 nM
O54939 BXGT004737 Testosterone 17-beta-dehydrogenase 3 reviewed - Hsd17b3 IC50 '=' 169 nM
Q16637 BXGT013646 Survival motor neuron protein reviewed Epigenetic regulator SMN1 Potency '=' 3162 nM
P10275 BXGT007552 Androgen receptor reviewed Nuclear receptor AR Potency - 17782 nM
P19793 BXGT008515 Retinoic acid receptor RXR-alpha reviewed Nuclear receptor RXRA Potency - 35481 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 33498 nM
P06401 BXGT006436 Progesterone receptor reviewed Nuclear receptor PGR log(RBA) '=' -1 -
Q28590 BXGT013952 Progesterone receptor reviewed - PGR log(RBA) '=' -1 -
O95149 BXGT005350 Snurportin-1 reviewed - SNUPN Potency - 6513 nM
Q14974 BXGT013516 Importin subunit beta-1 reviewed Transporter KPNB1 Potency - 6513 nM
P62826 BXGT011463 GTP-binding nuclear protein Ran reviewed Enzyme modulator RAN Potency - 6513 nM
Q9NR56 BXGT021179 Muscleblind-like protein 1 reviewed Nucleic acid binding MBNL1 Potency - 100 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00101 Flaxseed Linum usitatissimum Herbs and Spices
BXGF01222 Ocimum tenuiflorum Ocimum tenuiflorum Medicinal Plant
BXGF01374 Balanops australiana Balanops australiana Others
BXGF02505 Pinus sylvestris Pinus sylvestris Medicinal Plant
BXGF02802 Araiostegiella perdurans Araiostegiella perdurans Others
BXGF03476 Hylocomium splendens Hylocomium splendens Others
BXGF03763 Millettia laurentii Millettia laurentii Medicinal Plant
BXGF03765 Alcea rosea Alcea rosea Medicinal Plant
BXGF03980 Curcuma aromatica Curcuma aromatica Medicinal Plant
BXGF04349 Monodora tenuifolia Monodora tenuifolia Human Edible Plant
BXGF04896 Kokoona reflexa Kokoona reflexa Others
BXGF05083 Viguiera decurrens Viguiera decurrens Medicinal Plant
BXGF05145 Sideritis brevibracteata Sideritis brevibracteata Human Edible Plant
BXGF05184 Maesa ramentacea Maesa ramentacea Medicinal Plant
BXGF05242 Euphorbia cornigera Euphorbia cornigera Others
BXGF05274 Lilium lancifolium Lilium lancifolium Medicinal Plant
BXGF05368 Salvia yosgadensis Salvia yosgadensis Others
BXGF05428 Sideroxylon cubense Sideroxylon cubense Others
BXGF05654 Pinus strobus Pinus strobus Medicinal Plant
BXGF05730 Alpinia blepharocalyx Alpinia blepharocalyx Medicinal Plant
BXGF05764 Eucalyptus jenseni Eucalyptus jenseni Others
BXGF05869 Salacia lehmbachii Salacia lehmbachii Medicinal Plant
BXGF05954 Pluchea odorata Pluchea odorata Others
BXGF06033 Euonymus tingens Euonymus tingens 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