NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundMacrocalin B
NPACT-IdNPACT00738
IUPAC-
Synonyms-
PubChem Id44445771
ClassTerpenoids
In-vitro anticancer activity 3 cancer cell lines
In-Vivo anticancer activity No
TargetsTelomerase |   All | 
Properties Physical   Elemental  Topological
InChi KeyGSRZMSWBSLHHAD-IFKNWNSRSA-N
InChi1S/C20H26O6/c1-8-9-7-10(21)11-18-6-4-5-17(2,3)12(18)14(23)20(24)19(11,13(8)22)15(9)25-16(18)26-20/h9-12,14-16,21,23-24H,1,4-7H2,2-3H3/t9-,10-,11-,12+,14-,15+,16-,18+,19-,20-/m0/s1
SMILESO1[C@]2(O)[C@]34[C@H]5[C@]6([C@H]([C@@H]2O)C(CCC6)(C)C)[C@H]1O[C@@H]3[C@@H](C[C@@H]5O)C(=C)C4=O
SMART[H]O[C@@]1([H])C([H])([H])[C@@]2([H])C(=C([H])[H])C(=O)[C@@]34[C@]2([H])O[C@@]2([H])O[C@@]3(O[H])[C@@]([H])(O[H])[C@]3([H])[C@](C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@]23[C@@]14[H]
CAS No.93781-75-0
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   Yes
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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