NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound3-Hydroxy-4-(3,3-dimethylallyl)-4",5"-dehydropyrano(8,9:2",3"][6aR,11aR]-pterocarpan
NPACT-IdNPACT01496
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 KeyZWEQONVPSDWALR-NTKDMRAZSA-N
InChi1S/C25H26O4/c1-14(2)5-6-16-20(26)8-7-17-23(16)27-13-19-18-11-15-9-10-25(3,4)29-21(15)12-22(18)28-24(17)19/h5,7-12,19,24,26H,6,13H2,1-4H3/t19-,24-/m1/s1
SMILESc1(c(ccc2c1OC[C@H]1[C@@H]2Oc2c1cc1c(c2)OC(C=C1)(C)C)O)CC=C(C)C
SMART[H][C@]12COC3=C(C=CC(O)=C3CC=C(/[#6])[#6])[C@@]1([H])OC1=C2C=C2C=CC([#6])([#6])OC2=C1
CAS No.-
Structure
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Suppliers NA, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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