Showing entry for Cyclovalone


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0036864
Compound NameCyclovalone
Structure
FormulaC22H22O5
InchiKeyDHKKONBXGAAFTB-OTYYAQKOSA-N
SMILESCOc1cc(ccc1O)/C=C/1\CCC/C(=C\c2ccc(c(c2)OC)O)/C1=O
InchiInChI=1S/C22H22O5/c1-26-20-12-14(6-8-18(20)23)10-16-4-3-5-17(22(16)25)11-15-7-9-19(24)21(13-15)27-2/h6-13,23-24H,3-5H2,1-2H3/b16-10+,17-11+
IUPAC(2E,6E)-2,6-bis[(4-hydroxy-3-methoxyphenyl)methylidene]cyclohexan-1-one
Molecular Weight366.15
Pubchem Id1550234
Chembl IdCHEMBL17205
Targets of Information Source
DrugBank n.a
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
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 50067033
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 BXGT020526 Nucleotide-binding oligomerization domain-containing protein 2 reviewed Enzyme NOD2 - 3749 - -
reviewed BXGT022213 Nucleotide-binding oligomerization domain-containing protein 1 reviewed Enzyme NOD1 - - - 4944
reviewed BXGT005753 Tumor necrosis factor reviewed Signaling TNF - 3596.5 - -
reviewed BXGT008526 Nuclear factor NF-kappa-B p105 subunit reviewed Transcription factor NFKB1 - 4200 - -
reviewed BXGT006354 Transcription factor AP-1 reviewed Transcription factor JUN - 7300 - -
reviewed BXGT008526 Nuclear factor NF-kappa-B p105 subunit reviewed Transcription factor NFKB1 - 4400 - -
reviewed BXGT013038 Histone acetyltransferase p300 reviewed EP300 - 111000 - -
CHEMBL CHEMBL17205
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
Q962Y6 BXGT019597 Thioredoxin glutathione reductase unreviewed - TGR Potency '=' 63095 nM
Q7ZJM1 BXGT017268 Integrase unreviewed - pol IC50 '=' 100000 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 7079 nM
P14679 BXGT008039 Tyrosinase reviewed Enzyme TYR IC50 - - -
P43220 BXGT010367 Glucagon-like peptide 1 receptor reviewed G-protein coupled receptor GLP1R Potency - 28183 nM
P38398 BXGT010037 Breast cancer type 1 susceptibility protein reviewed Enzyme BRCA1 Potency - 12589 nM
Q92830 BXGT019379 Histone acetyltransferase KAT2A reviewed - KAT2A Potency - 39810 nM
Q09472 BXGT013038 Histone acetyltransferase p300 reviewed - EP300 IC50 '=' 111000 nM
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 79432 nM
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 35481 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 23109 nM
Q7ZJM1 BXGT017268 Integrase unreviewed - pol IC50 '>' 100000 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 3548 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 651 nM
Q8IUX4 BXGT018337 DNA dC->dU-editing enzyme APOBEC-3F reviewed Enzyme APOBEC3F Potency - 3548 nM
P39748 BXGT010134 Flap endonuclease 1 reviewed Enzyme FEN1 Potency - 70794 nM
O75164 BXGT005104 Lysine-specific demethylase 4A reviewed - KDM4A Potency - 28183 nM
Q194T2 BXGT013743 Non-structural protein 1 unreviewed - NS1 IC50 '>' 100000 nM
P13726 BXGT007950 Tissue factor reviewed Receptor F3 IC50 '>' 200 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 39810 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 39810 nM
P11473 BXGT007709 Vitamin D3 receptor reviewed Nuclear receptor VDR Potency - 25118 nM
Q9HC29 BXGT020526 Nucleotide-binding oligomerization domain-containing protein 2 reviewed Enzyme NOD2 EC50 '=' 9950 nM
P25094 BXGT009014 Peripheral myelin protein 22 reviewed - Pmp22 Potency - 9074 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 13335 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 44668 nM
P84022 BXGT012027 Mothers against decapentaplegic homolog 3 reviewed Transcription factor SMAD3 Potency - 25118 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 12589 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 12589 nM
Q9UIF8 BXGT021718 Bromodomain adjacent to zinc finger domain protein 2B reviewed - BAZ2B Potency - 44668 nM
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 89125 nM
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Potency - 19952 nM
P47199 BXGT010568 Quinone oxidoreductase reviewed - Cryz CD '=' 0 uM
P08659 BXGT006805 Luciferin 4-monooxygenase reviewed - Potency - 32196 nM
Q77YF9 BXGT016886 Protein Vpr unreviewed - vpr Potency - 31622 nM
P00811 BXGT005666 Beta-lactamase reviewed - ampC Potency '=' 89125 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 11582 nM
P01215 BXGT005743 Glycoprotein hormones alpha chain reviewed - CGA Potency - 11220 nM
P63092 BXGT011495 Guanine nucleotide-binding protein G(s) subunit alpha isoforms short reviewed - GNAS Potency - 11220 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 8199 nM
P25094 BXGT009014 Peripheral myelin protein 22 reviewed - Pmp22 Potency - 25099 nM
O95149 BXGT005350 Snurportin-1 reviewed - SNUPN Potency - 63095 nM
Q14974 BXGT013516 Importin subunit beta-1 reviewed Transporter KPNB1 Potency - 63095 nM
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed - IDH1 Potency - 18356 nM
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 31622 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 2818 nM
P08659 BXGT006805 Luciferin 4-monooxygenase reviewed - Potency - 19011 nM
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 18348 nM
P19838 BXGT008526 Nuclear factor NF-kappa-B p105 subunit reviewed Transcription factor NFKB1 IC50 '=' 4400 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 4109 nM
P83916 BXGT012025 Chromobox protein homolog 1 reviewed Epigenetic regulator CBX1 Potency - 44668 nM
P84022 BXGT012027 Mothers against decapentaplegic homolog 3 reviewed Transcription factor SMAD3 Potency - 31622 nM
Q9HC16 BXGT020525 DNA dC->dU-editing enzyme APOBEC-3G reviewed Enzyme APOBEC3G Potency - 5623 nM
O95149 BXGT005350 Snurportin-1 reviewed - SNUPN Potency - 7307 nM
Q14974 BXGT013516 Importin subunit beta-1 reviewed Transporter KPNB1 Potency - 7307 nM
P62826 BXGT011463 GTP-binding nuclear protein Ran reviewed Enzyme modulator RAN Potency - 7307 nM
Q13526 BXGT013369 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 reviewed - PIN1 Potency - 42561 nM
P05412 BXGT006354 Transcription factor AP-1 reviewed Transcription factor JUN IC50 '=' 7300 nM
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Potency - 50118 nM
P08659 BXGT006805 Luciferin 4-monooxygenase reviewed - Activity - - -
P19838 BXGT008526 Nuclear factor NF-kappa-B p105 subunit reviewed Transcription factor NFKB1 IC50 '=' 4200 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00068 Turmeric Curcuma longa Herbs and Spices
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