NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compound3'-O-Methyl-6-(1,1-dimethylallyl)eriodictyol
NPACT-IdNPACT00111
IUPAC(2S)-5,7,4'-Trihydroxy-3'-methoxy-6-(1,1-dimethylallyl)flavanone
Synonyms4H-1-Benzopyran-4-one,6-(1,1-dimethyl-2-propeny)-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-(S)-
PubChem Id10761665
ClassFlavonoid
In-vitro anticancer activity 11 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyJSSMZDOORNIHOT-HNNXBMFYSA-N
InChi1S/C21H22O6/c1-5-21(2,3)19-14(24)10-17-18(20(19)25)13(23)9-15(27-17)11-6-7-12(22)16(8-11)26-4/h5-8,10,15,22,24-25H,1,9H2,2-4H3/t15-/m0/s1
SMILESO1[C@@H](CC(=O)c2c(O)c(C(C)(C)C=C)c(O)cc12)c1cc(OC)c(O)cc1
SMART[#6]OC1=C(O)C=CC(=C1)[C@@H]1CC(=O)C2=C(O)C(=C(O)C=C2O1)[C@]([#6])([#6])C=C
CAS No.192572-95-5
Structure
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Suppliers NA, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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