Showing entry for 2,6-Di-tert-butyl-4-methylphenol


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0005750
Compound Name2,6-Di-tert-butyl-4-methylphenol
Structure
FormulaC15H24O
InchiKeyNLZUEZXRPGMBCV-UHFFFAOYSA-N
SMILESCC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C
InchiInChI=1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3
IUPAC2,6-di-tert-butyl-4-methylphenol
Molecular Weight220.35
Pubchem Id31404
Chembl IdCHEMBL146
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 50079507
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 BXGT005689 Carbonic anhydrase 1 reviewed CA1 245200 - - -
reviewed BXGT005690 Carbonic anhydrase 2 reviewed CA2 630 - - -
CHEMBL CHEMBL146
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
P11473 BXGT007709 Vitamin D3 receptor reviewed Nuclear receptor VDR Potency - 70794 nM
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 Inhibition - - -
P19793 BXGT008515 Retinoic acid receptor RXR-alpha reviewed Nuclear receptor RXRA Potency - 17782 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 25929 nM
P06746 BXGT006496 DNA polymerase beta reviewed Enzyme POLB Potency '=' 2511 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Inhibition - - -
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 Inhibition - - -
P07384 BXGT006619 Calpain-1 catalytic subunit reviewed Enzyme CAPN1 IC50 - - -
Q12809 BXGT013267 Potassium voltage-gated channel subfamily H member 2 reviewed Ion channel KCNH2 Potency - 11220 nM
P19224 BXGT008468 UDP-glucuronosyltransferase 1-6 reviewed - UGT1A6 Activity '=' 0 pm/min/mg
P29476 BXGT009354 Nitric oxide synthase, brain reviewed - Nos1 IC50 - - -
Q77YF9 BXGT016886 Protein Vpr unreviewed - vpr Potency - 12589 nM
P05177 BXGT006336 Cytochrome P450 1A2 reviewed Enzyme CYP1A2 Inhibition - - -
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 54482 nM
P53350 BXGT010984 Serine/threonine-protein kinase PLK1 reviewed Kinase PLK1 Potency - 26679 nM
P08170 BXGT006736 Seed linoleate 13S-lipoxygenase-1 reviewed - LOX1.1 Control '=' 0 %
Q16637 BXGT013646 Survival motor neuron protein reviewed Epigenetic regulator SMN1 Potency '=' 707 nM
P19838 BXGT008526 Nuclear factor NF-kappa-B p105 subunit reviewed Transcription factor NFKB1 Potency - 39810 nM
Q07869 BXGT012945 Peroxisome proliferator-activated receptor alpha reviewed Nuclear receptor PPARA Potency - 39810 nM
O60656 BXGT004889 UDP-glucuronosyltransferase 1-9 reviewed - UGT1A9 Activity '=' 0 pm/min/mg
P00915 BXGT005689 Carbonic anhydrase 1 reviewed - CA1 Ki '=' 245200 nM
P29473 BXGT009351 Nitric oxide synthase, endothelial reviewed - NOS3 IC50 - - -
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 183 nM
P08170 BXGT006736 Seed linoleate 13S-lipoxygenase-1 reviewed - LOX1.1 Control '=' 19 %
P33261 BXGT009707 Cytochrome P450 2C19 reviewed - CYP2C19 Inhibition - - -
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 12995 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 28183 nM
Q03431 BXGT012714 Parathyroid hormone/parathyroid hormone-related peptide receptor reviewed G-protein coupled receptor PTH1R Potency - 125892 nM
P10145 BXGT007542 Interleukin-8 reviewed Signaling CXCL8 Potency - 74978 nM
P00918 BXGT005690 Carbonic anhydrase 2 reviewed - CA2 Ki '=' 630 nM
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Potency - 35481 nM
Q96RI1 BXGT019727 Bile acid receptor reviewed Nuclear receptor NR1H4 Potency - 19952 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00103 Lichee Litchi chinensis Fruits
BXGF00802 Soft-necked garlic Allium sativum L. var. sativum Herbs and Spices
BXGF00920 Vincetoxicum stauntonii Vincetoxicum stauntonii Others
BXGF00946 Artemisia montana Artemisia montana Medicinal Plant
BXGF00956 Passiflora incarnata Passiflora incarnata Medicinal Plant
BXGF01157 Alstonia muelleriana Alstonia muelleriana Others
BXGF01205 Dacrydium cupressinum Dacrydium cupressinum Medicinal Plant
BXGF01422 Camptotheca acuminata Camptotheca acuminata Medicinal Plant
BXGF01426 Cornus officinalis Cornus officinalis Medicinal Plant
BXGF01448 Trigonella grandiflora Trigonella grandiflora Others
BXGF01554 Nicotiana undulata Nicotiana undulata Others
BXGF01821 Artemisia cina Artemisia cina Medicinal Plant
BXGF01973 Lonicera japonica Lonicera japonica Medicinal Plant
BXGF02131 Glycyrrhiza Glycyrrhiza Medicinal Plant
BXGF02182 Atractylodes lancea Atractylodes lancea Medicinal Plant
BXGF02526 Santalum album Santalum album Medicinal Plant
BXGF02757 Tripolium pannonicum Tripolium pannonicum Others
BXGF02925 Coreopsis nodosa Coreopsis nodosa Others
BXGF03162 Atractylodes macrocephala Atractylodes macrocephala Medicinal Plant
BXGF03180 Uvaria calamistrata Uvaria calamistrata Medicinal Plant
BXGF03348 Panax notoginseng Panax notoginseng Medicinal Plant
BXGF03508 Haematococcus lacustris Haematococcus lacustris Others
BXGF03682 Imperata cylindrica Imperata cylindrica Medicinal Plant
BXGF03953 Artemisia princeps Artemisia princeps Medicinal Plant
BXGF04389 Humulus japonicus Humulus japonicus Medicinal Plant
BXGF04445 Cynanchum stauntoni Cynanchum stauntoni Others
BXGF04611 Artemisia argyi Artemisia argyi Medicinal Plant
BXGF04715 Rhaponticum uniflorum Rhaponticum uniflorum Medicinal Plant
BXGF04820 Panax ginseng Panax ginseng 0
BXGF04889 Pogostemon cablin Pogostemon cablin Medicinal Plant
BXGF04909 Hippophae fructus Hippophae fructus Others
BXGF05279 Vincetoxicum glaucescens Vincetoxicum glaucescens Others
BXGF05413 Glycine tomentella Glycine tomentella Human Edible Plant
BXGF05651 Humulus scandens Humulus scandens Human Edible Plant
BXGF05810 Pterocarpus indicus Pterocarpus indicus Medicinal Plant
BXGF05817 Panax schinseng Panax schinseng Others
BXGF05944 Senecio paludaffinis Senecio paludaffinis Others
BXGF05946 Gypsophila licentiana hand.-mazz. Gypsophila licentiana hand.-mazz. Others
BXGF06086 Euphorbia wallichii Euphorbia wallichii 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