Showing entry for Pregnenolone


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0029355
Compound NamePregnenolone
Structure
FormulaC21H32O2
InchiKeyORNBQBCIOKFOEO-QGVNFLHTSA-N
SMILESO[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC[C@@H]2C(=O)C)C)C1)C
InchiInChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19,23H,5-12H2,1-3H3/t15-,16-,17+,18-,19-,20-,21+/m0/s1
IUPAC1-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
Molecular Weight316.24
Pubchem Id8955
Chembl IdCHEMBL253363
Targets of Information Source
DrugBank DB02789
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
O00204 BXGT003893 Sulfotransferase family cytosolic 2B member 1 reviewed - SULT2B1 approved; experimental -
O75469 BXGT005128 Nuclear receptor subfamily 1 group I member 2 reviewed Nuclear receptor NR1I2 approved; experimental -
PDB PLO
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
O00204 BXGT003893 Sulfotransferase family cytosolic 2B member 1 reviewed SULT2B1 - - - - -
Q5YNS8 BXGT015917 Cytochrome P450 monooxygenase unreviewed NFA_53110 - - - - -
P05093 BXGT006313 Steroid 17-alpha-hydroxylase/17,20 lyase reviewed CYP17A1 - - - <100 -
Binding DB 50375319
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 BXGT013681 Lanosterol 14-alpha demethylase reviewed Enzyme CYP51A1 - >200000 - -
reviewed BXGT007701 Glucose-6-phosphate 1-dehydrogenase reviewed Enzyme G6PD - 81400 - -
reviewed BXGT006182 Sex hormone-binding globulin reviewed SHBG - - 71 -
CHEMBL CHEMBL253363
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
P04278 BXGT006182 Sex hormone-binding globulin reviewed - SHBG Log 1/K '=' 7 -
P06186 BXGT006419 Progesterone receptor reviewed - PGR log(RBA) '=' 0 -
P49888 BXGT010756 Estrogen sulfotransferase reviewed - SULT1E1 Activity - - -
P16662 BXGT008253 UDP-glucuronosyltransferase 2B7 reviewed - UGT2B7 Activity '=' 5 total picomoles
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Inhibition '=' 82 %
P49798 BXGT010745 Regulator of G-protein signaling 4 reviewed Enzyme modulator RGS4 Potency - 8436 nM
P00811 BXGT005666 Beta-lactamase reviewed - ampC Potency '=' 316 nM
P22310 BXGT008754 UDP-glucuronosyltransferase 1-4 reviewed - UGT1A4 Activity '=' 72 pm/min/mg
P04278 BXGT006182 Sex hormone-binding globulin reviewed - SHBG #NAME? '=' 6 -
P08185 BXGT006742 Corticosteroid-binding globulin reviewed Enzyme modulator SERPINA6 Log 1/K '=' -5 -
Q9HAW8 BXGT020509 UDP-glucuronosyltransferase 1-10 reviewed - UGT1A10 Activity '=' 0 pm/min/mg
P08185 BXGT006742 Corticosteroid-binding globulin reviewed Enzyme modulator SERPINA6 #NAME? '=' 4 -
P56937 BXGT011205 3-keto-steroid reductase reviewed - HSD17B7 Inhibition - - -
Q9GK37 BXGT020404 Corticosteroid-binding globulin reviewed - Serpina6 Log 1/K '=' 5 -
Q9HAW9 BXGT020510 UDP-glucuronosyltransferase 1-8 reviewed - UGT1A8 Activity '=' 0 pm/min/mg
P04278 BXGT006182 Sex hormone-binding globulin reviewed - SHBG Kd '=' 70 nM
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 35481 nM
O75795 BXGT005152 UDP-glucuronosyltransferase 2B17 reviewed - UGT2B17 Activity '=' 0 pm/min/mg
P56937 BXGT011205 3-keto-steroid reductase reviewed - HSD17B7 Inhibition '=' 13 %
P15207 BXGT008096 Androgen receptor reviewed - Ar Relative binding affinity '=' 5 -
P04278 BXGT006182 Sex hormone-binding globulin reviewed - SHBG Log 1/K '=' -7 -
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 -
P08185 BXGT006742 Corticosteroid-binding globulin reviewed Enzyme modulator SERPINA6 Ki '=' 5888 nM
P08185 BXGT006742 Corticosteroid-binding globulin reviewed Enzyme modulator SERPINA6 Log K '=' 5 -
Q06520 BXGT012880 Bile salt sulfotransferase reviewed - SULT2A1 Activity - - -
O00204 BXGT003893 Sulfotransferase family cytosolic 2B member 1 reviewed - SULT2B1 Activity - - -
O35627 BXGT004535 Nuclear receptor subfamily 1 group I member 3 reviewed - Nr1i3 Remaining activity '=' 95 %
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Inhibition '=' 110 %
P11413 BXGT007701 Glucose-6-phosphate 1-dehydrogenase reviewed Enzyme G6PD IC50 '=' 81400 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 25929 nM
Q16850 BXGT013681 Lanosterol 14-alpha demethylase reviewed Enzyme CYP51A1 IC50 '>' 200000 nM
P06401 BXGT006436 Progesterone receptor reviewed Nuclear receptor PGR log(RBA) '=' 0 -
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 29092 nM
P63092 BXGT011495 Guanine nucleotide-binding protein G(s) subunit alpha isoforms short reviewed - GNAS Potency - 50118 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00151 Pomegranate Punica granatum Fruits
BXGF00937 Sloanea zuliaensis Sloanea zuliaensis Others
BXGF01005 Dictamnus dasycarpus Dictamnus dasycarpus Medicinal Plant
BXGF01014 Humboldtia laurifolia Humboldtia laurifolia Others
BXGF01067 Salta triflora Salta triflora Others
BXGF01226 Agrimonia eupatoria Agrimonia eupatoria Medicinal Plant
BXGF01304 Conyza canadensis Conyza canadensis Medicinal Plant
BXGF01362 Coreopsis fasciculata Coreopsis fasciculata Others
BXGF01475 Tillandsia fragrans Tillandsia fragrans Others
BXGF01574 Alstonia lanceolifera Alstonia lanceolifera Others
BXGF01579 Esenbeckia hartmanii Esenbeckia hartmanii Others
BXGF01601 Selinum carvifolium Selinum carvifolium Others
BXGF01617 Campanula medium Campanula medium Medicinal Plant
BXGF01647 Pieris formosa Pieris formosa Medicinal Plant
BXGF01728 Selaginella uncinata Selaginella uncinata Medicinal Plant
BXGF01765 Teucrium montanum Teucrium montanum Medicinal Plant
BXGF01839 Alluaudia humbertii Alluaudia humbertii Others
BXGF01865 Rhabdodendron amazonicum Rhabdodendron amazonicum Others
BXGF01928 Artemisia caerulescens Artemisia caerulescens Others
BXGF01953 Echinops spinosissimus Echinops spinosissimus Medicinal Plant
BXGF02004 Magnolia salicifolia Magnolia salicifolia Medicinal Plant
BXGF02038 Cheilanthes tenuifolia Cheilanthes tenuifolia Medicinal Plant
BXGF02092 Acanthosyris spinescens Acanthosyris spinescens Human Edible Plant
BXGF02140 Euphorbia nivulia Euphorbia nivulia Medicinal Plant
BXGF02159 Udotea cyathiformis Udotea cyathiformis Others
BXGF02190 Gleditsia triacanthos Gleditsia triacanthos Medicinal Plant
BXGF02234 Ilex macropoda Ilex macropoda Medicinal Plant
BXGF02254 Thuja plicata Thuja plicata Medicinal Plant
BXGF02263 Lycium cestroides Lycium cestroides Others
BXGF02280 Pterocaulon alopecuroides Pterocaulon alopecuroides Medicinal Plant
BXGF02284 Palhinhaea cernua Palhinhaea cernua Medicinal Plant
BXGF02297 Paepalanthus hilairei Paepalanthus hilairei Others
BXGF02329 Helipterum venustum Helipterum venustum Others
BXGF02792 Ligusticum sinense Ligusticum sinense Medicinal Plant
BXGF02970 Crepis foetida Crepis foetida Medicinal Plant
BXGF03014 Cirsium japonicum Cirsium japonicum Medicinal Plant
BXGF03039 Dorstenia lindeniana Dorstenia lindeniana Others
BXGF03059 Dioscoreophyllum cumminsii Dioscoreophyllum cumminsii Medicinal Plant
BXGF03073 Eruca vesicaria subsp. sativa Eruca vesicaria subsp. sativa 0
BXGF03121 Phytolacca acinosa Phytolacca acinosa Medicinal Plant
BXGF03140 Garcinia hombroniana Garcinia hombroniana Medicinal Plant
BXGF03192 Cardiospermum halicacabum Cardiospermum halicacabum Medicinal Plant
BXGF03213 Aglaia elaeagnoidea Aglaia elaeagnoidea Human Edible Plant
BXGF03254 Zanthoxylum integrifoliolum Zanthoxylum integrifoliolum Medicinal Plant
BXGF03272 Urtica triangularis Urtica triangularis Human Edible Plant
BXGF03320 Pouzolzia occidentalis Pouzolzia occidentalis Others
BXGF03344 Centaurea nigrescens Centaurea nigrescens Human Edible Plant
BXGF03379 Cnidium officinale Cnidium officinale Medicinal Plant
BXGF03400 Piper arboreum Piper arboreum Medicinal Plant
BXGF03431 Parastrephia lepidophylla Parastrephia lepidophylla Others
BXGF03445 Phlogacanthus thyrsiflorus Phlogacanthus thyrsiflorus Medicinal Plant
BXGF03455 Euphorbia segetalis Euphorbia segetalis Others
BXGF03465 Sidastrum acuminatum Sidastrum acuminatum Others
BXGF03480 Syncolostemon parviflorus Syncolostemon parviflorus Others
BXGF03491 Aristolochia elegans Aristolochia elegans Others
BXGF03503 Penstemon secundiflorus Penstemon secundiflorus Others
BXGF03541 Cuphea carthagenensis Cuphea carthagenensis Others
BXGF03552 Ozoroa insignis Ozoroa insignis Medicinal Plant
BXGF03571 Ruta microcarpa Ruta microcarpa Medicinal Plant
BXGF03579 Crinum defixum Crinum defixum Medicinal Plant
BXGF03735 Hansenia weberbaueriana Hansenia weberbaueriana Others
BXGF03742 Zanthoxylum monophyllum Zanthoxylum monophyllum Others
BXGF03865 Hansenia forbesii Hansenia forbesii Others
BXGF04079 Senna siamea Senna siamea Medicinal Plant
BXGF04113 Monostroma fuscum Monostroma fuscum Others
BXGF04251 Uvariopsis tripetala Uvariopsis tripetala Medicinal Plant
BXGF04756 Astragalus gummifer Astragalus gummifer Medicinal Plant
BXGF04890 Triglochin maritima Triglochin maritima Medicinal Plant
BXGF04900 Ostericum grosseserratum Ostericum grosseserratum Human Edible Plant
BXGF05111 Trifolium montanum Trifolium montanum Others
BXGF05234 Gynochthodes umbellata Gynochthodes umbellata Others
BXGF05463 Ageratina saltillensis Ageratina saltillensis Others
BXGF05515 Hedyotis lawsoniae Hedyotis lawsoniae Others
BXGF05640 Phedimus kamtschaticus Phedimus kamtschaticus Medicinal Plant
BXGF05687 Angelica officinalis Angelica officinalis Medicinal Plant
BXGF05768 Tetracera rosiflora Tetracera rosiflora Others
BXGF05797 Salvia polystachya Salvia polystachya Medicinal Plant
BXGF05939 Grewia villosa Grewia villosa 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