Showing entry for Phellopterin


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0002801
Compound NamePhellopterin
Structure
FormulaC17H16O5
InchiKeyBMLZFLQMBMYVHG-UHFFFAOYSA-N
SMILESCOC1=C2C=CC(=O)OC2=C(OCC=C(C)C)C2=C1C=CO2
InchiInChI=1S/C17H16O5/c1-10(2)6-8-21-17-15-12(7-9-20-15)14(19-3)11-4-5-13(18)22-16(11)17/h4-7,9H,8H2,1-3H3
IUPAC4-methoxy-9-[(3-methylbut-2-en-1-yl)oxy]-7H-furo[3,2-g]chromen-7-one
Molecular Weight300.31
Pubchem Id98608
Chembl IdCHEMBL452751
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 81058
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 BXGT007701 Glucose-6-phosphate 1-dehydrogenase reviewed Enzyme G6PD - >80000 - -
reviewed BXGT011200 Beta-secretase 1 reviewed Enzyme BACE1 - 1432000 - -
CHEMBL CHEMBL452751
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
P56817 BXGT011200 Beta-secretase 1 reviewed Enzyme BACE1 IC50 '=' 1432000 nM
P08183 BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 IC50 '=' 32000 nM
P63092 BXGT011495 Guanine nucleotide-binding protein G(s) subunit alpha isoforms short reviewed - GNAS Potency - 2238 nM
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 39810 nM
P03433 BXGT006070 Polymerase acidic protein reviewed - PA Inhibition '=' - -
P37840 BXGT010015 Alpha-synuclein reviewed Transporter SNCA Potency - 14125 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 23109 nM
Q194T2 BXGT013743 Non-structural protein 1 unreviewed - NS1 Potency '=' 11220 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 8912 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 16360 nM
Q9BHT9 BXGT020096 Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase unreviewed - G6PD-6PGL IC50 '>' 80000 nM
P05177 BXGT006336 Cytochrome P450 1A2 reviewed Enzyme CYP1A2 Inhibition '=' 96 %
O95149 BXGT005350 Snurportin-1 reviewed - SNUPN Potency - 141253 nM
Q14974 BXGT013516 Importin subunit beta-1 reviewed Transporter KPNB1 Potency - 141253 nM
P08183 BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 Inhibition - - -
O97447 BXGT005436 Putative fructose-1,6-bisphosphate aldolase unreviewed - ald Potency '=' 17740 nM
P08659 BXGT006805 Luciferin 4-monooxygenase reviewed - Potency - 26854 nM
Q9BHT9 BXGT020096 Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase unreviewed - G6PD-6PGL IC50 '=' 41500 nM
P11413 BXGT007701 Glucose-6-phosphate 1-dehydrogenase reviewed Enzyme G6PD IC50 '>' 80000 nM
P04798 BXGT006265 Cytochrome P450 1A1 reviewed Enzyme CYP1A1 Inhibition '=' 87 %
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 Inhibition '=' 20 %
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 Inhibition '=' 12 %
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 IC50 '>' 10000 nM
Q16678 BXGT013656 Cytochrome P450 1B1 reviewed Enzyme CYP1B1 Inhibition '=' 98 %
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 19952 nM
A0A0C5K5S3 BXGT000138 Fluoroquinolone resistance protein unreviewed - mdeA FC '=' 0 -
P05177 BXGT006336 Cytochrome P450 1A2 reviewed Enzyme CYP1A2 IC50 '=' 420 nM
P0A0J7 BXGT006970 Quinolone resistance protein NorA reviewed - norA FC '=' 2 -
P0A0J7 BXGT006970 Quinolone resistance protein NorA reviewed - norA MIC '=' 4 ug.mL-1
A0A0C5K5S3 BXGT000138 Fluoroquinolone resistance protein unreviewed - mdeA MIC '=' 256 ug.mL-1
Q13148 BXGT013318 TAR DNA-binding protein 43 reviewed - TARDBP Potency - 22387 nM
Q9NR56 BXGT021179 Muscleblind-like protein 1 reviewed Nucleic acid binding MBNL1 Potency - 14125 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 IC50 '>' 10000 nM
P10635 BXGT007595 Cytochrome P450 2D6 reviewed - CYP2D6 IC50 '>' 10000 nM
P04798 BXGT006265 Cytochrome P450 1A1 reviewed Enzyme CYP1A1 Inhibition '=' 90 %
P33261 BXGT009707 Cytochrome P450 2C19 reviewed - CYP2C19 Inhibition '=' 5 %
P11712 BXGT007738 Cytochrome P450 2C9 reviewed - CYP2C9 Inhibition '=' 3 %
P04798 BXGT006265 Cytochrome P450 1A1 reviewed Enzyme CYP1A1 Ki '=' 620 nM
P33261 BXGT009707 Cytochrome P450 2C19 reviewed - CYP2C19 IC50 '>' 10000 nM
P04798 BXGT006265 Cytochrome P450 1A1 reviewed Enzyme CYP1A1 IC50 '=' 580 nM
Q16678 BXGT013656 Cytochrome P450 1B1 reviewed Enzyme CYP1B1 IC50 '=' 220 nM
P05177 BXGT006336 Cytochrome P450 1A2 reviewed Enzyme CYP1A2 Ki '=' 380 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00015 Wild celery Apium graveolens Herbs and Spices
BXGF00053 Lime Citrus aurantiifolia Fruits
BXGF00054 Lemon Citrus limon Fruits
BXGF01260 Eleutherococcus senticosus Eleutherococcus senticosus Medicinal Plant
BXGF01462 Ambrosia arborescens Ambrosia arborescens Others
BXGF01580 Changium smyrnioides Changium smyrnioides Medicinal Plant
BXGF02070 Espeletiopsis purpurascens Espeletiopsis purpurascens Others
BXGF02108 Heracleum mantegazzianum Heracleum mantegazzianum Medicinal Plant
BXGF02231 Macrococculus pomiferus Macrococculus pomiferus Others
BXGF02333 Saposhnikovia divaricata Saposhnikovia divaricata Medicinal Plant
BXGF02480 Amomum reticulatum Amomum reticulatum Others
BXGF02969 Plectranthus hereroensis Plectranthus hereroensis Others
BXGF03427 Phellodendron chinense Phellodendron chinense Medicinal Plant
BXGF03639 Caralluma russeliana Caralluma russeliana Others
BXGF03657 Dalbergia monetaria Dalbergia monetaria Medicinal Plant
BXGF03676 Ursinia anthemoides Ursinia anthemoides Others
BXGF03682 Imperata cylindrica Imperata cylindrica Medicinal Plant
BXGF03716 Polypodium aureum Polypodium aureum Others
BXGF03733 Alpinia officinarum Alpinia officinarum Medicinal Plant
BXGF03735 Hansenia weberbaueriana Hansenia weberbaueriana Others
BXGF03756 Casimiroa edulis Casimiroa edulis Medicinal Plant
BXGF03792 Helianthus californicus Helianthus californicus Others
BXGF03828 Phellodendron amurense Phellodendron amurense Medicinal Plant
BXGF03865 Hansenia forbesii Hansenia forbesii Others
BXGF03888 Angelica dahurica Angelica dahurica Medicinal Plant
BXGF04900 Ostericum grosseserratum Ostericum grosseserratum Human Edible Plant
BXGF05593 Ajania fastigiata Ajania fastigiata Others
BXGF05805 Toddalia asiatica Toddalia asiatica Medicinal Plant
BXGF05827 Spiraea prunifolia Spiraea prunifolia Medicinal Plant
BXGF06027 Angelica taiwaniana Angelica taiwaniana Medicinal Plant
BXGF06107 Glehnia littoralis Glehnia littoralis Medicinal Plant
BXGF06248 Annona haematantha Annona haematantha Others
BXGF06268 Zanthoxylum nitidum Zanthoxylum nitidum 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