Showing entry for Cholesterol



                             
General Compound Information
BXGC IdBXGC0038316
Compound NameCholesterol
Structure
FormulaC27H46O
InchiKeyHVYWMOMLDIMFJA-DPAQBDIFSA-N
SMILESCC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C)C
InchiInChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
IUPAC(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Molecular Weight386.35
Pubchem Id5997
Chembl IdCHEMBL112570
Targets of Information Source
DrugBank DB04540
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
P35398 BXGT009825 Nuclear receptor ROR-alpha reviewed Nuclear receptor RORA approved; investigational -
Q14994 BXGT013519 Nuclear receptor subfamily 1 group I member 3 reviewed Nuclear receptor NR1I3 approved; investigational -
P11473 BXGT007709 Vitamin D3 receptor reviewed Nuclear receptor VDR approved; investigational -
Q9ULY5 BXGT021770 C-type lectin domain family 4 member E reviewed Receptor CLEC4E approved; investigational ligand
PDB CLR
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
P15570 BXGT008142 Beta-elicitin cryptogein reviewed - - - - -
P35398 BXGT009825 Nuclear receptor ROR-alpha reviewed RORA Nuclear receptor - - - -
P35844 BXGT009875 Oxysterol-binding protein homolog 4 reviewed KES1 - - - 300 -
Q4H132 BXGT014814 Sodium/potassium-transporting ATPase subunit alpha unreviewed atn1 - - - - -
C4IX13 BXGT002468 Sodium/potassium-transporting ATPase subunit beta unreviewed atp1b1 - - - - -
G1K3Q0 BXGT003432 Rhodopsin-2 unreviewed - - - - -
O15118 BXGT004127 NPC intracellular cholesterol transporter 1 reviewed NPC1 Transporter - - - -
P02647 BXGT005908 Apolipoprotein A-I reviewed APOA1 - - - - -
P05027 BXGT006297 Sodium/potassium-transporting ATPase subunit beta-1 reviewed ATP1B1 - - - - -
P05108 BXGT006317 Cholesterol side-chain cleavage enzyme, mitochondrial reviewed CYP11A1 - - - - -
P05024 BXGT006295 Sodium/potassium-transporting ATPase subunit alpha-1 reviewed ATP1A1 - - - - -
Q58K79 BXGT015231 FXYD domain-containing ion transport regulator unreviewed FXYD2 - - - - -
M1MR49 BXGT003846 Japanin unreviewed - - - - -
Q7K4Y6 BXGT016978 Sodium-dependent dopamine transporter reviewed DAT - - - - -
Q08DA1 BXGT013018 Sodium/potassium-transporting ATPase subunit alpha-1 reviewed ATP1A1 - - - - -
P69332 BXGT011627 G-protein coupled receptor homolog US28 reviewed US28 - - - - -
P42866 BXGT010343 Mu-type opioid receptor reviewed Oprm1 - - - - -
P31645 BXGT009558 Sodium-dependent serotonin transporter reviewed SLC6A4 Transporter - - - -
P51686 BXGT010881 C-C chemokine receptor type 9 reviewed CCR9 G-protein coupled receptor - - - -
A5A616 BXGT001292 Small protein MgtS reviewed mgtS - - - - -
F1RAX4 BXGT003225 Receptor for retinol uptake stra6 reviewed stra6 - - - - -
P60033 BXGT011286 CD81 antigen reviewed CD81 - - - - -
Q14108 BXGT013440 Lysosome membrane protein 2 reviewed SCARB2 Receptor - - - -
P69333 BXGT011628 G-protein coupled receptor homolog US28 reviewed US28 - - - - -
Q6CUK7 BXGT016230 KLLA0C04147p unreviewed KLLA0_C04147g - - - - -
Q9BXW6 BXGT023636 Oxysterol-binding protein-related protein 1 reviewed OSBPL1A - - - - -
O64989 BXGT023678 Cytochrome P450 90B1 reviewed CYP90B1 - - - - -
Q8HXQ5 BXGT018197 Multidrug resistance-associated protein 1 reviewed ABCC1 - - - - -
A7T1N0 BXGT001610 Transient receptor potential cation channel subfamily M member-like 2 reviewed TRPM2 - - - - -
Q5L1G5 BXGT015486 Amino acid transporter unreviewed GK0930 - - - - -
I0YUS5 BXGT024118 Family A G protein-coupled receptor-like protein unreviewed COCSUDRAFT_42526 - - - - -
Q9UNQ0 BXGT021792 ATP-binding cassette sub-family G member 2 reviewed ABCG2 Transporter - - - -
Q6IYF9 BXGT024282 Succinate receptor 1 reviewed Sucnr1 - - - - -
Q96BI3 BXGT019623 Gamma-secretase subunit APH-1A reviewed APH1A Enzyme modulator - - - -
Q01650 BXGT012603 Large neutral amino acids transporter small subunit 1 reviewed SLC7A5 Transporter - - - -
P08195 BXGT006745 4F2 cell-surface antigen heavy chain reviewed SLC3A2 Transporter - - - -
P18434 BXGT024555 Potassium-transporting ATPase subunit beta reviewed ATP4B - - - - -
P19156 BXGT008465 Potassium-transporting ATPase alpha chain 1 reviewed ATP4A - - - - -
P35610 BXGT009855 Sterol O-acyltransferase 1 reviewed SOAT1 Enzyme - - - -
P25025 BXGT009006 C-X-C chemokine receptor type 2 reviewed CXCR2 G-protein coupled receptor - - - -
P13569 BXGT007923 Cystic fibrosis transmembrane conductance regulator reviewed CFTR Ion channel - - - -
P21554 BXGT008662 Cannabinoid receptor 1 reviewed CNR1 G-protein coupled receptor - - - -
Q13635 BXGT024910 Protein patched homolog 1 reviewed PTCH1 - - - - -
Q15465 BXGT013573 Sonic hedgehog protein reviewed SHH - - - - -
Q03431 BXGT012714 Parathyroid hormone/parathyroid hormone-related peptide receptor reviewed PTH1R G-protein coupled receptor - - - -
P56726 BXGT011195 Smoothened homolog reviewed Smo - - - - -
P25090 BXGT025102 N-formyl peptide receptor 2 reviewed FPR2 G-protein coupled receptor - - - -
P34998 BXGT009781 Corticotropin-releasing factor receptor 1 reviewed CRHR1 - - - - -
Q13324 BXGT013340 Corticotropin-releasing factor receptor 2 reviewed CRHR2 G-protein coupled receptor - - - -
Q6ZWS4 BXGT025210 Protein cornichon homolog 3 reviewed Cnih3 - - - - -
P34972 BXGT009779 Cannabinoid receptor 2 reviewed CNR2 G-protein coupled receptor - - - -
P41143 BXGT010223 Delta-type opioid receptor reviewed OPRD1 G-protein coupled receptor - - - -
P08183 BXGT006741 ATP-dependent translocase ABCB1 reviewed ABCB1 Transporter - - - -
P21439 BXGT008649 Phosphatidylcholine translocator ABCB4 reviewed ABCB4 Transporter - - - -
Q13563 BXGT013377 Polycystin-2 reviewed PKD2 Ion channel - - - -
P30559 BXGT009442 Oxytocin receptor reviewed OXTR G-protein coupled receptor - - - -
P19491 BXGT008489 Glutamate receptor 2 reviewed Gria2 - - - - -
Q12791 BXGT013264 Calcium-activated potassium channel subunit alpha-1 reviewed KCNMA1 Ion channel - - - -
Q86W47 BXGT025779 Calcium-activated potassium channel subunit beta-4 reviewed KCNMB4 Ion channel - - - -
Q6T3U3 BXGT025780 NPC1-like intracellular cholesterol transporter 1 reviewed Npc1l1 - - - - -
P41145 BXGT010225 Kappa-type opioid receptor reviewed OPRK1 G-protein coupled receptor - - - -
P61916 BXGT025881 NPC intracellular cholesterol transporter 2 reviewed NPC2 - - - - -
Q96RD7 BXGT025890 Pannexin-1 reviewed PANX1 Ion channel - - - -
Q9UBS5 BXGT021662 Gamma-aminobutyric acid type B receptor subunit 1 reviewed GABBR1 G-protein coupled receptor - - - -
O75899 BXGT005161 Gamma-aminobutyric acid type B receptor subunit 2 reviewed GABBR2 G-protein coupled receptor - - - -
Q8TDU6 BXGT018814 G-protein coupled bile acid receptor 1 reviewed GPBAR1 G-protein coupled receptor - - - -
Binding DB 20192
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 BXGT013315 Oxysterols receptor LXR-alpha reviewed Nuclear receptor NR1H3 - - - -
reviewed BXGT012465 Steroid C26-monooxygenase reviewed cyp125 - - 110 -
reviewed BXGT012460 Steroid C26-monooxygenase reviewed cyp142 - - 340 -
reviewed BXGT019611 Oxysterol-binding protein 2 reviewed OSBP2 - - 68 -
reviewed BXGT006937 DNA polymerase alpha catalytic subunit reviewed POLA1 - >500000 - -
reviewed BXGT006502 DNA polymerase beta reviewed Polb - >500000 - -
reviewed BXGT013681 Lanosterol 14-alpha demethylase reviewed Enzyme CYP51A1 - >200000 - -
reviewed BXGT008096 Androgen receptor reviewed Ar - >42657.95 - -
reviewed BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 - 8200 - -
CHEMBL CHEMBL112570
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
P37840 BXGT010015 Alpha-synuclein reviewed Transporter SNCA Activity '=' 2 %
P00189 BXGT005485 Cholesterol side-chain cleavage enzyme, mitochondrial reviewed - CYP11A1 Km '=' 4500 nM
Q9NY46 BXGT021248 Sodium channel protein type 3 subunit alpha reviewed Ion channel SCN3A Inhibition '=' 3 %
Q99250 BXGT019913 Sodium channel protein type 2 subunit alpha reviewed Ion channel SCN2A Inhibition '=' 3 %
P35498 BXGT009838 Sodium channel protein type 1 subunit alpha reviewed Ion channel SCN1A Inhibition '=' 3 %
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Inhibition '=' 95 %
P08183 BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 IC50 '=' 8200 nM
P37840 BXGT010015 Alpha-synuclein reviewed Transporter SNCA Activity '=' 70 %
P37840 BXGT010015 Alpha-synuclein reviewed Transporter SNCA Activity '=' 19 %
P37840 BXGT010015 Alpha-synuclein reviewed Transporter SNCA Activity '=' 0 %
P37840 BXGT010015 Alpha-synuclein reviewed Transporter SNCA Activity '=' 30 a.u.
P37840 BXGT010015 Alpha-synuclein reviewed Transporter SNCA Activity '=' 25 a.u.
P37840 BXGT010015 Alpha-synuclein reviewed Transporter SNCA Activity '=' 4 %
P15207 BXGT008096 Androgen receptor reviewed - Ar IC50 '>' 42657 nM
P9WPP1 BXGT012466 Steroid C26-monooxygenase reviewed - cyp125 Kcat(app) '=' 28 /min
Q03181 BXGT012701 Peroxisome proliferator-activated receptor delta reviewed Nuclear receptor PPARD Potency - 79432 nM
O00204 BXGT003893 Sulfotransferase family cytosolic 2B member 1 reviewed - SULT2B1 Activity - - -
P37840 BXGT010015 Alpha-synuclein reviewed Transporter SNCA Activity '=' 0 a.u.
P37840 BXGT010015 Alpha-synuclein reviewed Transporter SNCA Activity '=' 100 %
P06766 BXGT006502 DNA polymerase beta reviewed - Polb IC50 '>' 500000 nM
Q05320 BXGT012812 Envelope glycoprotein reviewed - GP Inhibition - - -
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 6309 nM
Q16850 BXGT013681 Lanosterol 14-alpha demethylase reviewed Enzyme CYP51A1 IC50 '>' 200000 nM
P09884 BXGT006937 DNA polymerase alpha catalytic subunit reviewed - POLA1 IC50 '>' 500000 nM
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Inhibition '=' 100 %
P04150 BXGT006154 Glucocorticoid receptor reviewed Nuclear receptor NR3C1 Potency - 11220 nM
Q02880 BXGT012677 DNA topoisomerase 2-beta reviewed - TOP2B IC50 '>' 500000 nM
P11388 BXGT007697 DNA topoisomerase 2-alpha reviewed - TOP2A IC50 '>' 500000 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 54482 nM
P10275 BXGT007552 Androgen receptor reviewed Nuclear receptor AR Potency - 39810 nM
P9WPP1 BXGT012466 Steroid C26-monooxygenase reviewed - cyp125 Activity - - -
Q9UNQ0 BXGT021792 ATP-binding cassette sub-family G member 2 reviewed Transporter ABCG2 Activity - - -
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed - IDH1 Activity '=' 96 %
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed - IDH1 Activity '=' 105 %
Q9UHC9 BXGT021696 NPC1-like intracellular cholesterol transporter 1 reviewed Transporter NPC1L1 Activity - - -
P37840 BXGT010015 Alpha-synuclein reviewed Transporter SNCA Activity '=' 120 a.u.
Q13133 BXGT013315 Oxysterols receptor LXR-alpha reviewed Nuclear receptor NR1H3 RE '<' 0 -
P51449 BXGT010846 Nuclear receptor ROR-gamma reviewed Nuclear receptor RORC EC50 '=' 20 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00093 Black walnut Juglans nigra Nuts
BXGF00094 Common walnut Juglans regia Nuts
BXGF00101 Flaxseed Linum usitatissimum Herbs and Spices
BXGF00106 Mango Mangifera indica Fruits
BXGF00837 Nanking cherry Prunus tomentosa Fruits
BXGF00862 Phebalium ozothamnoides Phebalium ozothamnoides Others
BXGF00955 Peucedanum graveolens Peucedanum graveolens Medicinal Plant
BXGF00977 Vitex megapotamica Vitex megapotamica Human Edible Plant
BXGF01074 Centella asiatica Centella asiatica Medicinal Plant
BXGF01093 Fritillaria pallidiflora Fritillaria pallidiflora Medicinal Plant
BXGF01131 Podocarpus amarus Podocarpus amarus Others
BXGF01190 Astragalus sevangensis Astragalus sevangensis Others
BXGF01210 Koelreuteria paniculata Koelreuteria paniculata Medicinal Plant
BXGF01225 Teucrium orientale Teucrium orientale Medicinal Plant
BXGF01266 Dysoxylum lenticellatum Dysoxylum lenticellatum Others
BXGF01284 Saururus cernuus Saururus cernuus Medicinal Plant
BXGF01331 Juniperus serawschanica Juniperus serawschanica Others
BXGF01343 Strychnos fendleri Strychnos fendleri Others
BXGF01398 Elsholtzia blanda Elsholtzia blanda Human Edible Plant
BXGF01428 Euphorbia royleana Euphorbia royleana Medicinal Plant
BXGF01466 Halimeda macroloba Halimeda macroloba Others
BXGF01510 Cabucala madagascariensis Cabucala madagascariensis Others
BXGF01704 Paranephelius uniflorus Paranephelius uniflorus Others
BXGF01708 Narcissus concolor Narcissus concolor Others
BXGF01745 Petalostemon purpureum Petalostemon purpureum Medicinal Plant
BXGF01945 Artemisia taurica Artemisia taurica Medicinal Plant
BXGF02066 Veltheimia viridifolia Veltheimia viridifolia Others
BXGF02078 Trifolium pannonicum Trifolium pannonicum Medicinal Plant
BXGF02110 Hypoxis nyasica Hypoxis nyasica Others
BXGF02265 Xylopia aethiopica Xylopia aethiopica Medicinal Plant
BXGF02266 Mirabilis jalapa Mirabilis jalapa Medicinal Plant
BXGF02286 Cinnamosma madagascariensis Cinnamosma madagascariensis Others
BXGF02313 Fumaria kraliki Fumaria kraliki Others
BXGF02353 Ajuga bracteosa Ajuga bracteosa Medicinal Plant
BXGF02402 Aegiceras corniculatum Aegiceras corniculatum Medicinal Plant
BXGF02420 Helichrysum nudifolium Helichrysum nudifolium Medicinal Plant
BXGF02447 Macaranga sinensis Macaranga sinensis Others
BXGF02507 Arbutus menziesii Arbutus menziesii Medicinal Plant
BXGF02590 Allium monspessulanum Allium monspessulanum Others
BXGF02603 Sonneratia alba Sonneratia alba Human Edible Plant
BXGF02618 Justicia trinervia Justicia trinervia Others
BXGF02723 Hesperocyparis macrocarpa Hesperocyparis macrocarpa Others
BXGF02789 Ladeania juncea Ladeania juncea Others
BXGF02848 Buxus sempervirens Buxus sempervirens Medicinal Plant
BXGF03264 Rhododendron aureum Rhododendron aureum Medicinal Plant
BXGF03270 Aruncus dioicus Aruncus dioicus Medicinal Plant
BXGF03294 Tephroseris integrifolia Tephroseris integrifolia Medicinal Plant
BXGF03442 Rhaponticum carthamoides Rhaponticum carthamoides Medicinal Plant
BXGF03624 Scutellaria glabra Scutellaria glabra Others
BXGF03833 Cussonia bancoensis Cussonia bancoensis Others
BXGF03924 Kochia trichophylla Kochia trichophylla Others
BXGF04048 Buchenavia tetraphylla Buchenavia tetraphylla Others
BXGF04177 Cordylanthus kingii Cordylanthus kingii Others
BXGF04191 Vicia villosa Vicia villosa Medicinal Plant
BXGF04303 Anemarrhena asphodeloides Anemarrhena asphodeloides Medicinal Plant
BXGF04312 Sophora viciifolia Sophora viciifolia Medicinal Plant
BXGF04401 Annona impressivenia Annona impressivenia Others
BXGF04532 Solanum nigrum linn Solanum nigrum linn Others
BXGF04605 Senna alexandrina Senna alexandrina Medicinal Plant
BXGF04621 Ulva prolifera Ulva prolifera Others
BXGF04705 Abrus precatorius Abrus precatorius Medicinal Plant
BXGF04728 Alseodaphne corneri Alseodaphne corneri Others
BXGF04730 Thymus piperella Thymus piperella Human Edible Plant
BXGF04739 Forsteronia refracta Forsteronia refracta Others
BXGF04742 Eragrostis viscosa Eragrostis viscosa Medicinal Plant
BXGF04747 Nauclea officinalis Nauclea officinalis Medicinal Plant
BXGF04753 Grewia mollis Grewia mollis Medicinal Plant
BXGF04759 Calendula officinalis Calendula officinalis Medicinal Plant
BXGF04765 Heterotheca grandiflora Heterotheca grandiflora Others
BXGF04771 Croton cumingii Croton cumingii Medicinal Plant
BXGF04775 Bersama yangambiensis Bersama yangambiensis Others
BXGF04783 Ruta pinnata Ruta pinnata Medicinal Plant
BXGF04795 Disynaphia halimifolia Disynaphia halimifolia Others
BXGF04821 Kaunia saltensis Kaunia saltensis Others
BXGF04826 Heliotropium floridum Heliotropium floridum Others
BXGF04830 Artemisia oranensis Artemisia oranensis Others
BXGF04835 Castanopsis sclerophylla Castanopsis sclerophylla Medicinal Plant
BXGF04839 Gymnocarpium robertianum Gymnocarpium robertianum Others
BXGF04846 Oncoba echinata Oncoba echinata Others
BXGF04851 Salvia dorrii Salvia dorrii Others
BXGF04858 Teucrium depressum Teucrium depressum Others
BXGF04866 Aconitum nevadense Aconitum nevadense Others
BXGF04871 Trichilia rubescens Trichilia rubescens Others
BXGF04874 Conocephalum japonicum Conocephalum japonicum Others
BXGF04880 Hovenia acerba Hovenia acerba Medicinal Plant
BXGF04885 Stevia polycephala Stevia polycephala Others
BXGF04893 Sophora angustifolia Sophora angustifolia Others
BXGF04901 Kaempferia marginata Kaempferia marginata Medicinal Plant
BXGF04905 Aloe Aloe Medicinal Plant
BXGF04909 Hippophae fructus Hippophae fructus Others
BXGF05064 Fridericia chica Fridericia chica Medicinal Plant
BXGF05193 Piper futokadsura Piper futokadsura Others
BXGF05203 Chlamydomonas reinhardtii Chlamydomonas reinhardtii Others
BXGF05207 Albizia adinocephala Albizia adinocephala Others
BXGF05214 Eupatorium sternbergianum Eupatorium sternbergianum Human Edible Plant
BXGF05218 Hedysarum multijugum Hedysarum multijugum Medicinal Plant
BXGF05245 Doodia picta Doodia picta Others
BXGF05259 Echiochilon pauciflorum Echiochilon pauciflorum Others
BXGF05287 Bruguiera gymnorhiza Bruguiera gymnorhiza Medicinal Plant
BXGF05340 Adiantum caudatum Adiantum caudatum Medicinal Plant
BXGF05412 Pimpinella aurea Pimpinella aurea Others
BXGF05431 Citrus natsudaidai Citrus natsudaidai Human Edible Plant
BXGF05485 Ligularia atroviolacea Ligularia atroviolacea Others
BXGF05504 Silybum marianum Silybum marianum Medicinal Plant
BXGF05649 Phlomis regelii Phlomis regelii Others
BXGF05692 Potentilla multifida Potentilla multifida Medicinal Plant
BXGF05695 Cymbidium aloifolium Cymbidium aloifolium Others
BXGF05787 Smilax glabra Smilax glabra Medicinal Plant
BXGF05859 Haplopappus venetus Haplopappus venetus Others
BXGF05925 Centaurea amara Centaurea amara Others
BXGF05949 Otostegia fruticosa Otostegia fruticosa Medicinal Plant
BXGF05953 Bryum rutilans Bryum rutilans Others
BXGF05977 Schisandra chinensis Schisandra chinensis Medicinal Plant
BXGF06015 Isoberlinia angolensis Isoberlinia angolensis Human Edible Plant
BXGF06100 Delphinium dictyocarpum Delphinium dictyocarpum Others
BXGF06297 Polanisia dodecandra Polanisia dodecandra 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