Showing entry for Hypericin


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0006212
Compound NameHypericin
Structure
FormulaC30H16O8
InchiKeyBTXNYTINYBABQR-UHFFFAOYSA-N
SMILESCC1=CC(O)=C2C(=O)C3=C(O)C=C(O)C4=C3C3=C2C1=C1C(C)=CC(O)=C2C(=O)C5=C(O)C=C(O)C4=C5C3=C12
InchiInChI=1S/C30H16O8/c1-7-3-9(31)19-23-15(7)16-8(2)4-10(32)20-24(16)28-26-18(12(34)6-14(36)22(26)30(20)38)17-11(33)5-13(35)21(29(19)37)25(17)27(23)28/h3-6,31-36H,1-2H3
IUPAC5,7,11,18,22,24-hexahydroxy-13,16-dimethyloctacyclo[13.11.1.12,1?.03,?.0?,2?.01?,2?.021,2?.01?,2?]octacosa-1(27),2(28),3,5,7,10,12,14,16,18,21,23,25-tridecaene-9,20-dione
Molecular Weight504.44
Pubchem Id
Chembl IdCHEMBL286494
Targets of Information Source
DrugBank DB13014
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
P08263 BXGT006759 Glutathione S-transferase A1 reviewed - GSTA1 investigational -
P09211 BXGT006869 Glutathione S-transferase P reviewed - GSTP1 investigational -
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 50060874
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 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed Txnrd1 - 158125 - -
reviewed BXGT022399 Thioredoxin reductase 2, mitochondrial reviewed Txnrd2 - 43152 - -
reviewed BXGT009781 Corticotropin-releasing factor receptor 1 reviewed CRHR1 - 300 - -
reviewed BXGT022283 Cysteine protease ATG4B reviewed Enzyme ATG4B - 57000 - -
reviewed BXGT010274 Glutathione reductase reviewed GLR1 - 3670 - -
reviewed BXGT009835 D(3) dopamine receptor reviewed G-protein coupled receptor DRD3 35 - - -
reviewed BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 - 8700 - -
CHEMBL CHEMBL286494
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
Q13951 BXGT013407 Core-binding factor subunit beta reviewed - CBFB Potency - 25118 nM
Q01196 BXGT012575 Runt-related transcription factor 1 reviewed Transcription factor RUNX1 Potency - 25118 nM
O15296 BXGT004148 Arachidonate 15-lipoxygenase B reviewed Enzyme ALOX15B Potency - 2511 nM
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 10000 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 25118 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 25118 nM
P46063 BXGT010501 ATP-dependent DNA helicase Q1 reviewed Enzyme RECQL Potency '=' 31622 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency '=' 28183 nM
P10828 BXGT007624 Thyroid hormone receptor beta reviewed Nuclear receptor THRB Potency '=' 14125 nM
P11021 BXGT007644 Endoplasmic reticulum chaperone BiP reviewed - HSPA5 Potency - 28183 nM
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Inhibition '=' 60 %
Q9F4F7 BXGT020344 4'-phosphopantetheinyl transferase ffp reviewed - ffp Potency '=' 56234 nM
Q92830 BXGT019379 Histone acetyltransferase KAT2A reviewed - KAT2A Potency - 17782 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 14125 nM
P34998 BXGT009781 Corticotropin-releasing factor receptor 1 reviewed - CRHR1 IC50 '=' 300 nM
P08684 BXGT006812 Cytochrome P450 3A4 reviewed Enzyme CYP3A4 IC50 '=' 8700 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 8912 nM
Q9F4F7 BXGT020344 4'-phosphopantetheinyl transferase ffp reviewed - ffp Potency '=' 50118 nM
P41921 BXGT010274 Glutathione reductase reviewed - GLR1 IC50 '=' 3670 nM
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 IC50 '=' 158124 nM
P15428 BXGT008121 15-hydroxyprostaglandin dehydrogenase [NAD(+)] reviewed - HPGD Potency '=' 8912 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 22387 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 17782 nM
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Inhibition - - -
P18054 BXGT008370 Arachidonate 12-lipoxygenase, 12S-type reviewed Enzyme ALOX12 Potency '=' 14125 nM
P97697 BXGT012214 Inositol monophosphatase 1 reviewed - Impa1 Potency '=' 10000 nM
P11473 BXGT007709 Vitamin D3 receptor reviewed Nuclear receptor VDR Potency - 8912 nM
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 IC50 '=' 198000 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 8199 nM
P46063 BXGT010501 ATP-dependent DNA helicase Q1 reviewed Enzyme RECQL Potency '=' 562 nM
P10828 BXGT007624 Thyroid hormone receptor beta reviewed Nuclear receptor THRB Potency '=' 12589 nM
Q9Z0J5 BXGT022399 Thioredoxin reductase 2, mitochondrial reviewed - Txnrd2 IC50 '=' 43151 nM
Q7ZJM1 BXGT017268 Integrase unreviewed - pol IC50 '=' 10000 nM
P10828 BXGT007624 Thyroid hormone receptor beta reviewed Nuclear receptor THRB Potency '=' 1778 nM
P25779 BXGT009067 Cruzipain reviewed - Potency '=' 28183 nM
Q9Z0J5 BXGT022399 Thioredoxin reductase 2, mitochondrial reviewed - Txnrd2 IC50 '=' 49000 nM
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Inhibition '=' 20 %
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 7943 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 3162 nM
P35462 BXGT009835 D(3) dopamine receptor reviewed G-protein coupled receptor DRD3 Ki '=' 34 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 39810 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 4466 nM
Q9BEG3 BXGT020092 5-lipoxygenase unreviewed - IC50 '>' 30000 nM
P02791 BXGT005965 Ferritin light chain reviewed - FTL Potency '=' 28183 nM
P46063 BXGT010501 ATP-dependent DNA helicase Q1 reviewed Enzyme RECQL Potency '=' 354 nM
P54132 BXGT011032 Bloom syndrome protein reviewed - BLM Potency '=' 19952 nM
P81908 BXGT011959 Cholinesterase reviewed - BCHE Inhibition '=' 14 %
Q9Z0J5 BXGT022399 Thioredoxin reductase 2, mitochondrial reviewed - Txnrd2 Inhibition - - -
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 16360 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 3162 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 3162 nM
Q16637 BXGT013646 Survival motor neuron protein reviewed Epigenetic regulator SMN1 Potency '=' 17782 nM
Q94696 BXGT019553 Luciferase unreviewed - luc Potency '=' 10000 nM
P97697 BXGT012214 Inositol monophosphatase 1 reviewed - Impa1 Potency '=' 12589 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 5011 nM
O42275 BXGT004559 Acetylcholinesterase reviewed - ache Inhibition '=' -7 %
P35520 BXGT009842 Cystathionine beta-synthase reviewed - CBS Inhibition - - -
Q9Y4P1 BXGT022283 Cysteine protease ATG4B reviewed Enzyme ATG4B IC50 '=' 57000 nM
P35520 BXGT009842 Cystathionine beta-synthase reviewed - CBS IC50 '=' 3100 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00038 Tea Camellia sinensis Teas
BXGF00806 Alcoholic beverages Beverages
BXGF00818 Herbs and Spices Herbs and Spices
BXGF05269 Hypericum perforatum Hypericum perforatum 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