NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a a
CompoundGericudranin A
NPACT-IdNPACT00611
IUPAC2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6,8-bis[(4-hydroxyphenyl)methyl]-2,3-dihydrochromen-4-one
Synonyms6,8-di-p-hydroxybenzyltaxifolin
PubChem Id10436583
ClassFlavonoid
In-vitro anticancer activtiy 5 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyNSDIRDXLZWLHAL-UHFFFAOYSA-N
InChi1S/C29H24O9/c30-17-6-1-14(2-7-17)11-19-24(34)20(12-15-3-8-18(31)9-4-15)29-23(25(19)35)26(36)27(37)28(38-29)16-5-10-21(32)22(33)13-16/h1-10,13,27-28,30-35,37H,11-12H2
SMILESO1[C@H]([C@@H](O)C(=O)c2c1c(c(O)c(c2O)Cc1ccc(O)cc1)Cc1ccc(O)cc1)c1cc(O)c(O)cc1
SMART[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C1=C(O[H])C(=C2O[C@@]([H])(C3=C([H])C(O[H])=C(O[H])C([H])=C3[H])[C@@]([H])(O[H])C(=O)C2=C1O[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C098271
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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