Showing entry for Helenalin


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0036860
Compound NameHelenalin
Structure
FormulaC15H18O4
InchiKeyZVLOPMNVFLSSAA-XEPQRQSNSA-N
SMILESC=C1C(=O)O[C@H]2[C@@H]1[C@H](O)[C@]1(C)C(=O)C=C[C@H]1[C@@H](C2)C
InchiInChI=1S/C15H18O4/c1-7-6-10-12(8(2)14(18)19-10)13(17)15(3)9(7)4-5-11(15)16/h4-5,7,9-10,12-13,17H,2,6H2,1,3H3/t7-,9+,10-,12-,13+,15+/m1/s1
IUPAC(3aR,5R,5aR,8aR,9S,9aS)-9-hydroxy-5,8a-dimethyl-1-methylidene-3a,4,5,5a,9,9a-hexahydroazuleno[6,7-b]furan-2,8-dione
Molecular Weight262.12
Pubchem Id23205
Chembl IdCHEMBL338474
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 43484
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 BXGT012559 E3 ubiquitin-protein ligase Mdm2 reviewed Nucleic acid binding MDM2 - - - 420
reviewed BXGT012559 E3 ubiquitin-protein ligase Mdm2 reviewed Nucleic acid binding MDM2 - - - 1110
reviewed BXGT012559 E3 ubiquitin-protein ligase Mdm2 reviewed Nucleic acid binding MDM2 - - - 180
reviewed BXGT022247 G-protein coupled receptor 55 reviewed G-protein coupled receptor GPR55 - 2642.275 - -
reviewed BXGT009829 Apelin receptor reviewed G-protein coupled receptor APLNR - 21300 - -
reviewed BXGT009858 DNA damage-inducible transcript 3 protein reviewed Ddit3 - 2450 - -
reviewed BXGT009441 Type-1 angiotensin II receptor reviewed G-protein coupled receptor AGTR1 - 18639 - -
reviewed BXGT008348 X-box-binding protein 1 reviewed XBP1 - 2140 - -
reviewed BXGT005729 Transcriptional activator Myb reviewed MYB - 2371 - -
reviewed BXGT005729 Transcriptional activator Myb reviewed MYB - 2370 - -
CHEMBL CHEMBL338474
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
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 35481 nM
P11473 BXGT007709 Vitamin D3 receptor reviewed Nuclear receptor VDR Potency - 31622 nM
Q16637 BXGT013646 Survival motor neuron protein reviewed Epigenetic regulator SMN1 Potency '=' 5 nM
P28482 BXGT009263 Mitogen-activated protein kinase 1 reviewed Kinase MAPK1 Potency '=' 31622 nM
P11473 BXGT007709 Vitamin D3 receptor reviewed Nuclear receptor VDR Potency - 39810 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 3162 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 11220 nM
Q9Y5X4 BXGT022306 Photoreceptor-specific nuclear receptor reviewed Nuclear receptor NR2E3 IC50 - 1921 nM
P01103 BXGT005729 Transcriptional activator Myb reviewed - MYB IC50 '=' 2370 nM
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 8912 nM
Q00987 BXGT012559 E3 ubiquitin-protein ligase Mdm2 reviewed Nucleic acid binding MDM2 EC50 '=' 420 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 3662 nM
P84022 BXGT012027 Mothers against decapentaplegic homolog 3 reviewed Transcription factor SMAD3 Potency - 3981 nM
P30556 BXGT009441 Type-1 angiotensin II receptor reviewed G-protein coupled receptor AGTR1 IC50 '=' 18639 nM
Q9F4F7 BXGT020344 4'-phosphopantetheinyl transferase ffp reviewed - ffp Potency '=' 79432 nM
Q194T2 BXGT013743 Non-structural protein 1 unreviewed - NS1 Potency '=' 4466 nM
Q8VNN2 BXGT018937 Beta-galactosidase reviewed - lacZ EC50 '>' 40000 nM
P42858 BXGT010341 Huntingtin reviewed - HTT Potency '=' 2238 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 8912 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency '=' 11220 nM
P17861 BXGT008348 X-box-binding protein 1 reviewed - XBP1 IC50 '=' 2430 nM
P51151 BXGT010837 Ras-related protein Rab-9A reviewed - RAB9A Potency '=' 1000 nM
P01103 BXGT005729 Transcriptional activator Myb reviewed - MYB IC50 '=' 2371 nM
P06746 BXGT006496 DNA polymerase beta reviewed Enzyme POLB Potency '=' 100000 nM
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 17729 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 3981 nM
Q9Y2T6 BXGT022247 G-protein coupled receptor 55 reviewed G-protein coupled receptor GPR55 IC50 '=' 2642 nM
Q9F4F7 BXGT020344 4'-phosphopantetheinyl transferase ffp reviewed - ffp Potency '=' 89125 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 819 nM
P43220 BXGT010367 Glucagon-like peptide 1 receptor reviewed G-protein coupled receptor GLP1R Potency - 2511 nM
Q92830 BXGT019379 Histone acetyltransferase KAT2A reviewed - KAT2A Potency - 25118 nM
Q962Y6 BXGT019597 Thioredoxin glutathione reductase unreviewed - TGR Potency '=' 25118 nM
Q9Y253 BXGT022216 DNA polymerase eta reviewed - POLH Potency - 89125 nM
P29597 BXGT009367 Non-receptor tyrosine-protein kinase TYK2 reviewed Kinase TYK2 Inhibition '=' 25 %
O60674 BXGT004892 Tyrosine-protein kinase JAK2 reviewed Kinase JAK2 Inhibition '=' 25 %
P23458 BXGT008868 Tyrosine-protein kinase JAK1 reviewed Kinase JAK1 Inhibition '=' 25 %
P52333 BXGT010928 Tyrosine-protein kinase JAK3 reviewed Kinase JAK3 Inhibition '=' 25 %
O15118 BXGT004127 NPC intracellular cholesterol transporter 1 reviewed Transporter NPC1 Potency '=' 794 nM
P49798 BXGT010745 Regulator of G-protein signaling 4 reviewed Enzyme modulator RGS4 Potency - 50118 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 3548 nM
P06492 BXGT006444 Tegument protein VP16 reviewed - UL48 IC50 - 4374 nM
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Potency - 56234 nM
Q04206 BXGT012754 Transcription factor p65 reviewed Transcription factor RELA IC100 '=' 10 uM
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 5 nM
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 14125 nM
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed - IDH1 Potency - 1458 nM
Q03431 BXGT012714 Parathyroid hormone/parathyroid hormone-related peptide receptor reviewed G-protein coupled receptor PTH1R Potency - 7943 nM
Q04206 BXGT012754 Transcription factor p65 reviewed Transcription factor RELA IC100 '=' 10 uM
P19838 BXGT008526 Nuclear factor NF-kappa-B p105 subunit reviewed Transcription factor NFKB1 IC100 '=' 10 uM
Q00653 BXGT012541 Nuclear factor NF-kappa-B p100 subunit reviewed Transcription factor NFKB2 IC100 '=' 10 uM
P35639 BXGT009858 DNA damage-inducible transcript 3 protein reviewed - Ddit3 IC50 '=' 2610 nM
P06280 BXGT006433 Alpha-galactosidase A reviewed - GLA Potency '=' 39810 nM
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 4107 nM
P04062 BXGT006140 Lysosomal acid glucosylceramidase reviewed - GBA Potency - 1584 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 25118 nM
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 2810 nM
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 19 nM
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 35375 nM
P49798 BXGT010745 Regulator of G-protein signaling 4 reviewed Enzyme modulator RGS4 Potency - 21192 nM
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 4 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 920 nM
P83916 BXGT012025 Chromobox protein homolog 1 reviewed Epigenetic regulator CBX1 Potency - 79432 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 145 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 39810 nM
P53778 BXGT011013 Mitogen-activated protein kinase 12 reviewed Kinase MAPK12 Inhibition '=' 25 %
Q16539 BXGT013634 Mitogen-activated protein kinase 14 reviewed Kinase MAPK14 Inhibition '=' 25 %
Q15759 BXGT013595 Mitogen-activated protein kinase 11 reviewed Kinase MAPK11 Inhibition '=' 25 %
O15264 BXGT004144 Mitogen-activated protein kinase 13 reviewed Kinase MAPK13 Inhibition '=' 25 %
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 7308 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 12589 nM
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 19952 nM
O14746 BXGT004091 Telomerase reverse transcriptase reviewed Enzyme TERT IC50 '=' 4000 nM
Q9HC16 BXGT020525 DNA dC->dU-editing enzyme APOBEC-3G reviewed Enzyme APOBEC3G Potency - 562 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF03156 Arnica longifolia Arnica longifolia Others
BXGF05070 Asteraceae Asteraceae Others
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