NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundErythrabyssin II
NPACT-IdNPACT00562
IUPAC2,10-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
Synonyms3,9-Dihydroxy-2,10-diprenylpterocarpan
PubChem Id5086400
ClassFlavonoid
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsPTPN1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyLDKAMVCGTURXMH-UHFFFAOYSA-N
InChi1S/C25H28O4/c1-14(2)5-7-16-11-19-23(12-22(16)27)28-13-20-17-9-10-21(26)18(8-6-15(3)4)24(17)29-25(19)20/h5-6,9-12,20,25-27H,7-8,13H2,1-4H3
SMILESO1[C@H]2[C@@H](c3c1c(c(O)cc3)CC=C(C)C)COc1c2cc(c(O)c1)CC=C(C)C
SMART[H]OC1=C([H])C2=C(C([H])=C1C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])[C@@]1([H])OC3=C(C([H])=C([H])C(O[H])=C3C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])[C@@]1([H])C([H])([H])O2
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Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   No
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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