NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundPrunectin
NPACT-IdNPACT01299
IUPAC-
Synonyms5,4'-dihydroxy-7-methoxyisoflavone;5-Hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4-benzopyrone;Isoflavone, 4',5-dihydroxy-7-methoxy- (7CI,8CI);
PubChem Id5386259
ClassFlavonoid
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsCASP3 |   All | 
Properties Physical   Elemental  Topological
InChi KeyDQNLRFRBAWCJHQ-UHFFFAOYSA-N
InChi1S/C17H14O5/c1-20-11-5-3-10(4-6-11)13-9-22-15-8-12(21-2)7-14(18)16(15)17(13)19/h3-9,18H,1-2H3
SMILESo1c2c(c(=O)c(c3ccc(OC)cc3)c1)c(O)cc(OC)c2
SMART[#6]OC1=CC=C(C=C1)C1=COC2=CC(O[#6])=CC(O)=C2C1=O
CAS No.552-59-0
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, AKos Consulting & Solutions, Amadis Chemical, Ambinter, ChemFrog, IS Chemical Technology, R&D Chemicals, ZINC, 
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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