Showing entry for Garcinone E


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0005319
Compound NameGarcinone E
Structure
FormulaC28H32O6
InchiKeyWVJYEKGQSBGNRP-UHFFFAOYSA-N
SMILESCC(C)=CCC1=C(O)C2=C(OC3=C(C2=O)C(CC=C(C)C)=C(O)C(O)=C3CC=C(C)C)C=C1O
InchiInChI=1S/C28H32O6/c1-14(2)7-10-17-20(29)13-21-23(24(17)30)27(33)22-18(11-8-15(3)4)25(31)26(32)19(28(22)34-21)12-9-16(5)6/h7-9,13,29-32H,10-12H2,1-6H3
IUPAC2,3,6,8-tetrahydroxy-1,4,7-tris(3-methylbut-2-en-1-yl)-9H-xanthen-9-one
Molecular Weight464.55
Pubchem Id10298511
Chembl IdCHEMBL454580
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 50242205
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 BXGT020526 Nucleotide-binding oligomerization domain-containing protein 2 reviewed Enzyme NOD2 - 4649 - -
reviewed BXGT022213 Nucleotide-binding oligomerization domain-containing protein 1 reviewed Enzyme NOD1 - - - 4780
reviewed BXGT005753 Tumor necrosis factor reviewed Signaling TNF - 20000 - -
reviewed BXGT009858 DNA damage-inducible transcript 3 protein reviewed Ddit3 - >10000 - -
reviewed BXGT008348 X-box-binding protein 1 reviewed XBP1 - 4830 - -
reviewed BXGT010694 Fatty acid synthase reviewed Enzyme FASN - 3300 - -
reviewed BXGT007717 Aromatase reviewed Enzyme CYP19A1 - 25100 - -
CHEMBL CHEMBL454580
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
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 16833 nM
O97447 BXGT005436 Putative fructose-1,6-bisphosphate aldolase unreviewed - ald Potency '=' 17740 nM
Q194T2 BXGT013743 Non-structural protein 1 unreviewed - NS1 Potency '=' 19952 nM
Q8IUX4 BXGT018337 DNA dC->dU-editing enzyme APOBEC-3F reviewed Enzyme APOBEC3F Potency - 35481 nM
P84022 BXGT012027 Mothers against decapentaplegic homolog 3 reviewed Transcription factor SMAD3 Potency - 6309 nM
P63092 BXGT011495 Guanine nucleotide-binding protein G(s) subunit alpha isoforms short reviewed - GNAS Potency - 31622 nM
O75164 BXGT005104 Lysine-specific demethylase 4A reviewed - KDM4A Potency - 50118 nM
P17861 BXGT008348 X-box-binding protein 1 reviewed - XBP1 IC50 '=' 5240 nM
Q9UIF8 BXGT021718 Bromodomain adjacent to zinc finger domain protein 2B reviewed - BAZ2B Potency - 50118 nM
P10520 BXGT007576 Streptokinase A reviewed - ska EC50 '=' 828 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 19952 nM
P11511 BXGT007717 Aromatase reviewed Enzyme CYP19A1 Activity '=' 23 %
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 28183 nM
P11511 BXGT007717 Aromatase reviewed Enzyme CYP19A1 Activity '=' 32 %
P49327 BXGT010694 Fatty acid synthase reviewed Enzyme FASN IC50 '=' 3300 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 20596 nM
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 79432 nM
P35639 BXGT009858 DNA damage-inducible transcript 3 protein reviewed - Ddit3 IC50 '>' 9670 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 25929 nM
P54132 BXGT011032 Bloom syndrome protein reviewed - BLM Potency '=' 28183 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 14125 nM
P06746 BXGT006496 DNA polymerase beta reviewed Enzyme POLB Potency '=' 44668 nM
Q9Y253 BXGT022216 DNA polymerase eta reviewed - POLH Potency - 39810 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 22387 nM
Q13526 BXGT013369 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 reviewed - PIN1 Potency - 50118 nM
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 32629 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 35481 nM
P11511 BXGT007717 Aromatase reviewed Enzyme CYP19A1 IC50 '=' 25100 nM
O95149 BXGT005350 Snurportin-1 reviewed - SNUPN Potency - 22387 nM
Q14974 BXGT013516 Importin subunit beta-1 reviewed Transporter KPNB1 Potency - 22387 nM
O95149 BXGT005350 Snurportin-1 reviewed - SNUPN Potency - 16360 nM
Q14974 BXGT013516 Importin subunit beta-1 reviewed Transporter KPNB1 Potency - 16360 nM
P62826 BXGT011463 GTP-binding nuclear protein Ran reviewed Enzyme modulator RAN Potency - 16360 nM
P28482 BXGT009263 Mitogen-activated protein kinase 1 reviewed Kinase MAPK1 Potency '=' 14125 nM
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed - IDH1 Potency - 16360 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 25929 nM
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 12589 nM
P43220 BXGT010367 Glucagon-like peptide 1 receptor reviewed G-protein coupled receptor GLP1R Potency - 31622 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 18356 nM
Q2Q167 BXGT014159 Core protein unreviewed - IC50 '>' 49751 nM
P63092 BXGT011495 Guanine nucleotide-binding protein G(s) subunit alpha isoforms short reviewed - GNAS Potency - 7079 nM
O95398 BXGT005378 Rap guanine nucleotide exchange factor 3 reviewed Enzyme modulator RAPGEF3 Potency - 56234 nM
P27695 BXGT009199 DNA-(apurinic or apyrimidinic site) lyase reviewed - APEX1 Potency - 22387 nM
P01215 BXGT005743 Glycoprotein hormones alpha chain reviewed - CGA Potency - 3981 nM
Q03431 BXGT012714 Parathyroid hormone/parathyroid hormone-related peptide receptor reviewed G-protein coupled receptor PTH1R Potency - 31622 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00373 Purple mangosteen Garcinia mangostana Fruits
BXGF00823 Fruits Fruits
BXGF00864 Nicotiana sylvestris Nicotiana sylvestris Others
BXGF00927 Dolomiaea souliei Dolomiaea souliei Others
BXGF01007 Eucalyptus camaldulensis Eucalyptus camaldulensis Medicinal Plant
BXGF01149 Garcinia oblongifolia Garcinia oblongifolia Human Edible Plant
BXGF01175 Neomeris annulata Neomeris annulata Others
BXGF03981 Senecio vellereus Senecio vellereus Others
BXGF04213 Trifolium resupinatum Trifolium resupinatum Agricultural Plant
BXGF04519 Serpocaulon triseriale Serpocaulon triseriale Others
BXGF05090 Lonicera hypoleuca Lonicera hypoleuca Human Edible Plant
BXGF05157 Garcinia morella Garcinia morella Medicinal Plant
BXGF05213 Halimodendron halodendron Halimodendron halodendron Others
BXGF05269 Hypericum perforatum Hypericum perforatum Medicinal Plant
BXGF05434 Zanthoxylum decaryi Zanthoxylum decaryi Medicinal Plant
BXGF05715 Cistanche salsa Cistanche salsa Medicinal Plant
BXGF05933 Pentadesma butyracea Pentadesma butyracea Human Edible Plant
BXGF06008 Aster bellidiastrum Aster bellidiastrum Others
BXGF06189 Piper wightii Piper wightii Others
BXGF06276 Wibelia divaricata Wibelia divaricata 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