Showing entry for Austrobailignan 6


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0036632
Compound NameAustrobailignan 6
Structure
FormulaC20H24O4
InchiKeyQDDILOVMGWUNGD-UONOGXRCSA-N
SMILESCOc1cc(ccc1O)C[C@@H]([C@@H](Cc1ccc2c(c1)OCO2)C)C
InchiInChI=1S/C20H24O4/c1-13(8-15-4-6-17(21)19(10-15)22-3)14(2)9-16-5-7-18-20(11-16)24-12-23-18/h4-7,10-11,13-14,21H,8-9,12H2,1-3H3/t13-,14+/m0/s1
IUPAC4-[(2S,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol
Molecular Weight328.17
Pubchem Id10404245
Chembl IdCHEMBL254071
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 90735
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 BXGT008966 Corticotropin-releasing factor-binding protein reviewed Signaling CRHBP - - - >53000
CHEMBL CHEMBL254071
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
Q77YF9 BXGT016886 Protein Vpr unreviewed - vpr Potency - 56234 nM
Q13315 BXGT013339 Serine-protein kinase ATM reviewed Kinase ATM Potency '=' 35481 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 20596 nM
P84022 BXGT012027 Mothers against decapentaplegic homolog 3 reviewed Transcription factor SMAD3 Potency - 22387 nM
P05067 BXGT006306 Amyloid-beta precursor protein reviewed Enzyme modulator APP Activity '=' 61 %
P10253 BXGT007550 Lysosomal alpha-glucosidase reviewed Enzyme GAA Potency '=' 22216 nM
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 44668 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 1000 nM
Q13148 BXGT013318 TAR DNA-binding protein 43 reviewed - TARDBP Potency - 35481 nM
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 28183 nM
P05067 BXGT006306 Amyloid-beta precursor protein reviewed Enzyme modulator APP Activity '=' 61 %
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 29092 nM
P05067 BXGT006306 Amyloid-beta precursor protein reviewed Enzyme modulator APP Activity '=' 57 %
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 29092 nM
Q13526 BXGT013369 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 reviewed - PIN1 Potency - 79432 nM
P24387 BXGT008966 Corticotropin-releasing factor-binding protein reviewed Signaling CRHBP IC50 '>' 47100 nM
Q13324 BXGT013340 Corticotropin-releasing factor receptor 2 reviewed G-protein coupled receptor CRHR2 IC50 '>' 47100 nM
P24387 BXGT008966 Corticotropin-releasing factor-binding protein reviewed Signaling CRHBP EC50 '>' 53000 nM
Q13324 BXGT013340 Corticotropin-releasing factor receptor 2 reviewed G-protein coupled receptor CRHR2 EC50 '>' 53000 nM
P05067 BXGT006306 Amyloid-beta precursor protein reviewed Enzyme modulator APP Activity '=' 64 %
Q8WZA2 BXGT019025 Rap guanine nucleotide exchange factor 4 reviewed Enzyme modulator RAPGEF4 Potency - 31622 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00118 Nutmeg Myristica fragrans Herbs and Spices
BXGF01709 Hyptis tomentosa Hyptis tomentosa Medicinal Plant
BXGF02562 Cephalonoplos segetum Cephalonoplos segetum Human Edible Plant
BXGF02988 Schisandra glaucescens Schisandra glaucescens Human Edible Plant
BXGF04192 Helenium autumnale Helenium autumnale Medicinal Plant
BXGF04434 Iryanthera lancifolia Iryanthera lancifolia Others
BXGF04646 Lens phaseoloides Lens phaseoloides Others
BXGF05176 Leucas aspera Leucas aspera Medicinal Plant
BXGF05294 Ipomoea cristulata Ipomoea cristulata Others
BXGF05363 Lophozonia menziesii Lophozonia menziesii Others
BXGF05443 Rhodotypos scandens Rhodotypos scandens Others
BXGF05527 Pancratium trianthum Pancratium trianthum Human Edible Plant
BXGF05589 Piper pedicellosum Piper pedicellosum Medicinal Plant
BXGF05808 Xanthostemon oppositifolius Xanthostemon oppositifolius Others
BXGF05834 Schisandra sphenanthera Schisandra sphenanthera Medicinal Plant
BXGF05836 Esenbeckia nesiotica Esenbeckia nesiotica Others
BXGF05977 Schisandra chinensis Schisandra chinensis Medicinal Plant
BXGF05999 Catalpa bignonioides Catalpa bignonioides Medicinal Plant
BXGF06045 Helipterum tenellum Helipterum tenellum 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