Showing entry for Aromaticin


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0020873
Compound NameAromaticin
Structure
FormulaC15H18O3
InchiKeyOSSDUQKWVVZIGP-SCGWIAOYSA-N
SMILESC=C1C(=O)O[C@@H]2[C@@H]1C[C@]1(C)C(=O)C=C[C@H]1[C@@H](C2)C
InchiInChI=1S/C15H18O3/c1-8-6-12-10(9(2)14(17)18-12)7-15(3)11(8)4-5-13(15)16/h4-5,8,10-12H,2,6-7H2,1,3H3/t8-,10-,11+,12+,15+/m1/s1
IUPAC(3aS,5R,5aR,8aS,9aR)-5,8a-dimethyl-1-methylidene-3a,4,5,5a,9,9a-hexahydroazuleno[6,7-b]furan-2,8-dione
Molecular Weight246.13
Pubchem Id282529
Chembl IdCHEMBL494255
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 43483
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 BXGT012559 E3 ubiquitin-protein ligase Mdm2 reviewed Nucleic acid binding MDM2 - - - 590
reviewed BXGT004598 Bcl-2-like protein 11 reviewed BCL2L11 - - - >350000
reviewed BXGT009858 DNA damage-inducible transcript 3 protein reviewed Ddit3 - 970 - -
reviewed BXGT008348 X-box-binding protein 1 reviewed XBP1 - 5550 - -
CHEMBL CHEMBL494255
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
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed - IDH1 Potency - 12995 nM
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 32629 nM
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 35481 nM
P35639 BXGT009858 DNA damage-inducible transcript 3 protein reviewed - Ddit3 IC50 '=' 10000 nM
Q962Y6 BXGT019597 Thioredoxin glutathione reductase unreviewed - TGR Potency '=' 35481 nM
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 7943 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 1032 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 10000 nM
O15118 BXGT004127 NPC intracellular cholesterol transporter 1 reviewed Transporter NPC1 Potency '=' 3548 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 20596 nM
P17861 BXGT008348 X-box-binding protein 1 reviewed - XBP1 IC50 '=' 5710 nM
P42858 BXGT010341 Huntingtin reviewed - HTT Potency '=' 5623 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 6309 nM
P84022 BXGT012027 Mothers against decapentaplegic homolog 3 reviewed Transcription factor SMAD3 Potency - 4466 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 651 nM
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 3661 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 1458 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 14125 nM
P43220 BXGT010367 Glucagon-like peptide 1 receptor reviewed G-protein coupled receptor GLP1R Potency - 10000 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 17782 nM
Q03431 BXGT012714 Parathyroid hormone/parathyroid hormone-related peptide receptor reviewed G-protein coupled receptor PTH1R Potency - 70794 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 2909 nM
Q9HC16 BXGT020525 DNA dC->dU-editing enzyme APOBEC-3G reviewed Enzyme APOBEC3G Potency - 3162 nM
P51151 BXGT010837 Ras-related protein Rab-9A reviewed - RAB9A Potency '=' 2511 nM
Q00987 BXGT012559 E3 ubiquitin-protein ligase Mdm2 reviewed Nucleic acid binding MDM2 EC50 '=' 590 nM
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 17782 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF02782 Helenium amarum Helenium amarum Medicinal Plant
BXGF05070 Asteraceae Asteraceae Others
BXGF05248 Inula hupehensis Inula hupehensis 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