NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundGericudranin B
NPACT-IdNPACT00612
IUPAC2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-[(4-hydroxyphenyl)methyl]-2,3-dihydrochromen-4-one
Synonyms8-p-hydroxybenzyltaxifolin
PubChem Id42608135
ClassFlavonoid
In-vitro anticancer activity 5 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyUMBDLCOFFATLCV-UHFFFAOYSA-N
InChi1S/C22H18O8/c23-12-4-1-10(2-5-12)7-13-15(25)9-17(27)18-19(28)20(29)21(30-22(13)18)11-3-6-14(24)16(26)8-11/h1-6,8-9,20-21,23-27,29H,7H2
SMILESO1[C@H]([C@@H](O)C(=O)c2c1c(Cc1ccc(O)cc1)c(O)cc2O)c1cc(O)c(O)cc1
SMART[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C1=C2O[C@@]([H])(C3=C([H])C(O[H])=C(O[H])C([H])=C3[H])[C@@]([H])(O[H])C(=O)C2=C(O[H])C([H])=C1O[H]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C098272
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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