NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compoundisoneorautenol
NPACT-IdNPACT01240
IUPAC-
Synonyms6H,10H-Furo[3,2-c:4,5-g']bis[1]benzopyran-3-ol, 6a,13a-dihydro-10,10-dimethyl-;6H,10H-Furo(3,2-c:4,5-g')bis(1)benzopyran-3-ol, 6a,13a-dihydro-10,10-dimethyl-;3-Hydroxy-6'',6''-dimethylpyrano[2'',3'':9,8]pterocarpan;
PubChem Id73649
ClassFlavonoid
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyWTKJOOHYNMPGLE-UHFFFAOYSA-N
InChi1S/C20H18O4/c1-20(2)6-5-11-7-14-15-10-22-17-8-12(21)3-4-13(17)19(15)23-18(14)9-16(11)24-20/h3-9,15,19,21H,10H2,1-2H3
SMILESO1C2C(c3c1cc1OC(C=Cc1c3)(C)C)COc1c2ccc(O)c1
SMART[H]OC1=C([H])C2=C(C([H])=C1[H])[C@@]1([H])OC3=C(C([H])=C4C([H])=C([H])[C@](OC4=C3[H])(C([H])([H])[H])C([H])([H])[H])[C@@]1([H])C([H])([H])O2
CAS No.98755-24-9
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers AAA Chemistry, ABI Chem, ChemFrog, 
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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