NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound3,5,7,3',4'-pentahydroxyflavonol-3-O-beta-D-glucopyranoside
NPACT-IdNPACT00108
IUPAC-
Synonyms-
PubChem Id-
ClassFlavonoid
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyBAVDWMPKCQIURP-RQMTUJCISA-N
InChi1S/C22H22O12/c23-6-15-18(29)19(30)20(31)22(34-15)32-7-10-17(28)16-13(27)4-9(24)5-14(16)33-21(10)8-1-2-11(25)12(26)3-8/h1-5,15,18-20,22-27,29-31H,6-7H2/t15-,18-,19+,20-,22-/m0/s1
SMILESc1c(cc(c2c1oc(c(c2=O)CO[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)CO)c1cc(c(cc1)O)O)O)O
SMART[H][C@]1(OCC2=C(OC3=C(C(O)=CC(O)=C3)C2=O)C2=CC=C(O)C(O)=C2)O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O
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   No
Veber filter   No
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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