NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compound3,5,7,3',4',5'-hexahydroxy flavanone-3-O-beta-D-glucopyranoside
NPACT-IdNPACT00105
IUPAC-
Synonyms-
PubChem Id-
ClassFlavonoid
In-vitro anticancer activity 3 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyGYIVKHCLSZLSAO-SPRFTUKASA-N
InChi1S/C20H18NO11/c22-7-9(1-2-15(27)28)21-32-20-18(30)16-11(24)5-10(23)6-14(16)31-19(20)8-3-12(25)17(29)13(26)4-8/h3-6,9,19-21,23-26,29H,1-2H2,(H,27,28)/t9-,19+,20-/m0/s1
SMILESc1c(cc(c2c1O[C@@H]([C@H](C2=O)ON[C@@H](CCC(=O)O)C=O)c1cc(c(c(c1)O)O)O)O)O
SMARTOC(=O)CC[C@H](NO[C@@H]1[C@H](OC2=C(C(O)=CC(O)=C2)C1=O)C1=CC(O)=C(O)C(O)=C1)C=O
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers NA, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   Yes
Veber filter   No
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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