Showing entry for Ambrosin


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0042678
Compound NameAmbrosin
Structure
FormulaC15H18O3
InchiKeyIFXGCKRDLITNAU-UHFFFAOYSA-N
SMILESCC1CCC2C(C3(C1C=CC3=O)C)OC(=O)C2=C
InchiInChI=1S/C15H18O3/c1-8-4-5-10-9(2)14(17)18-13(10)15(3)11(8)6-7-12(15)16/h6-8,10-11,13H,2,4-5H2,1,3H3
IUPAC6,9a-dimethyl-3-methylidene-3a,4,5,6,6a,9b-hexahydroazuleno[8,7-b]furan-2,9-dione
Molecular Weight246.13
Pubchem Id257272
Chembl IdCHEMBL1730820
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 97029
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 BXGT010851 Probable global transcription activator SNF2L2 reviewed Epigenetic regulator SMARCA2 - - - 91243
CHEMBL CHEMBL1730820
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 - 29092 nM
P38398 BXGT010037 Breast cancer type 1 susceptibility protein reviewed Enzyme BRCA1 Potency - 11220 nM
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 31622 nM
P83916 BXGT012025 Chromobox protein homolog 1 reviewed Epigenetic regulator CBX1 Potency - 89125 nM
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Potency - 44668 nM
Q03431 BXGT012714 Parathyroid hormone/parathyroid hormone-related peptide receptor reviewed G-protein coupled receptor PTH1R Potency - 125892 nM
Q9Y253 BXGT022216 DNA polymerase eta reviewed - POLH Potency - 84921 nM
Q9HC16 BXGT020525 DNA dC->dU-editing enzyme APOBEC-3G reviewed Enzyme APOBEC3G Potency - 11220 nM
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 44668 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 3162 nM
O95149 BXGT005350 Snurportin-1 reviewed - SNUPN Potency - 63095 nM
Q14974 BXGT013516 Importin subunit beta-1 reviewed Transporter KPNB1 Potency - 63095 nM
Q9Y253 BXGT022216 DNA polymerase eta reviewed - POLH Potency - 14125 nM
P01215 BXGT005743 Glycoprotein hormones alpha chain reviewed - CGA Potency - 1778 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 2909 nM
P84022 BXGT012027 Mothers against decapentaplegic homolog 3 reviewed Transcription factor SMAD3 Potency - 19952 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 2059 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 6513 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 3264 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 18356 nM
P51531 BXGT010851 Probable global transcription activator SNF2L2 reviewed Epigenetic regulator SMARCA2 EC50 '>' 91243 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF03432 Chrysanthemum indicum Chrysanthemum indicum 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