NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound3,9-Dihydroxy-4-(3,3-dimethylallyl)[6aR,11aR]-pterocarpan
NPACT-IdNPACT01471
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 KeyQKYUTKLCEVEMIE-OXQOHEQNSA-N
InChi1S/C20H20O4/c1-11(2)3-5-14-17(22)8-7-15-19(14)23-10-16-13-6-4-12(21)9-18(13)24-20(15)16/h3-4,6-9,16,20-22H,5,10H2,1-2H3/t16-,20-/m1/s1
SMILESc1(c(ccc2c1OC[C@H]1[C@@H]2Oc2c1ccc(c2)O)O)CC=C(C)C
SMART[H]C1=CC2=C(O[C@]3([H])C4=C(OC[C@]23[H])C(CC=C([#6])[#6])=C(O)C=C4)C=C1O
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   Yes
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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