NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundBurttinone
NPACT-IdNPACT00359
IUPAC(E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one
Synonyms-
PubChem Id42607959
ClassFlavonoid
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyBOBWTYODGOYWRC-UVIRAJKCSA-N
InChi1S/C26H30O6/c1-15(2)6-7-16-10-18(11-17(25(16)31-5)8-9-26(3,4)30)22-14-21(29)24-20(28)12-19(27)13-23(24)32-22/h6,8-13,22,27-28,30H,7,14H2,1-5H3/b9-8+/t22-/m0/s1
SMILESO1[C@H](c2cc(c(OC)c(c2)/C=C/C(O)(C)C)CC=C(C)C)CC(=O)c2c1cc(O)cc2O
SMART[H]OC1=C([H])C(O[H])=C2C(O[C@]([H])(C3=C([H])C(=C(OC([H])([H])[H])C(C([H])=C(/[H])[C@@](O[H])(C([H])([H])[H])C([H])([H])[H])=C3[H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])C2=O)=C1[H]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers Therapeutic Targets Database, 
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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