NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compound5-O-beta-D-glucopyranosyl-4-(4-hydroxyphenyl)-7-methoxy-2H-chromen-2-one
NPACT-IdNPACT00180
IUPAC4-(4-hydroxyphenyl)-7-methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
Synonyms-
PubChem Id11843082
ClassBenzopyranoids
In-vitro anticancer activity 3 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyRHQMMFRZBGVKSM-RECXWPGBSA-N
InChi1S/C22H22O10/c1-29-12-6-14-18(13(8-17(25)30-14)10-2-4-11(24)5-3-10)15(7-12)31-22-21(28)20(27)19(26)16(9-23)32-22/h2-8,16,19-24,26-28H,9H2,1H3/t16-,19-,20+,21-,22-/m1/s1
SMILESO1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1Oc1c2c(c3ccc(O)cc3)cc(=O)oc2cc(OC)c1)CO
SMART[#6]OC1=CC2=C(C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C1)C(=CC(=O)O2)C1=CC=C(O)C=C1
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   Yes
Ghose filter   No
Veber filter   No
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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