NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundGarcinialiptone B
NPACT-IdNPACT00596
IUPAC-
Synonyms-
PubChem Id46184557
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 KeyAFHKVDYTQYGRHC-JVFVNDAQSA-N
InChi1S/C38H48O6/c1-21(2)11-13-26-19-37-20-27(24(7)8)30(17-23(5)6)44-34(37)31(32(41)25-12-14-28(39)29(40)18-25)33(42)38(35(37)43,36(26,9)10)16-15-22(3)4/h11-12,14-15,17-18,26-27,30,39-40H,7,13,16,19-20H2,1-6,8-10H3/t26-,27-,30-,37+,38+/m0/s1
SMILESO1C2=C(C(=O)[C@]3(C([C@H](C[C@@]2(C3=O)C[C@H]([C@@H]1C=C(C)C)C(=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@@]([H])(C([H])=C(C([H])([H])[H])C([H])([H])[H])[C@]([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

 






Copyright © 2012. Subhash M. Agagrwal. All Rights Reserved.