NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundCycloxanthochymol
NPACT-IdNPACT00473
IUPAC4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Synonyms-
PubChem Id25265782
ClassSimple aromatic natural products
In-vitro anticancer activity 4 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyRALMOKVINHMHFN-MWVHARJDSA-N
InChi1S/C38H50O6/c1-22(2)11-14-26-20-37-21-27(15-12-23(3)4)36(9,10)44-33(37)30(31(41)25-13-16-28(39)29(40)19-25)32(42)38(34(37)43,35(26,7)8)18-17-24(5)6/h11,13,16-17,19,26-27,39-40H,3,12,14-15,18,20-21H2,1-2,4-10H3/t26-,27+,37+,38+/m0/s1
SMILESO1C2=C(C(=O)[C@]3(C([C@H](C[C@@]2(C3=O)C[C@H](C1(C)C)CCC(=C)C)CC=C(C)C)(C)C)CC=C(C)C)C(=O)c1cc(O)c(O)cc1
SMART[H]OC1=C(O[H])C([H])=C(C([H])=C1[H])C(=O)C1=C2O[C@@](C([H])([H])[H])(C([H])([H])[H])[C@]([H])(C([H])([H])C([H])([H])C(=C([H])[H])C([H])([H])[H])C([H])([H])[C@@]22C(=O)[C@](C1=O)(C([H])([H])C([H])=C(/C([H])([H])[H])C([H])([H])[H])[C@](C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C2([H])[H]
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   No
Ghose filter   No
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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