NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compound22-epicalamistrin
NPACT-IdNPACT00073
IUPAC-
Synonyms-
PubChem Id-
ClassPolyketides
In-vitro anticancer activity 6 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeySBQFQOLBZXKZRP-KRNMPWKKSA-N
InChi1S/C31H52O6/c1-27(2)22-16-24(33)31(7)20-10-9-18(17-15-19(37-26(17)36-8)25(34)28(3,4)35)29(20,5)13-11-21(31)30(22,6)14-12-23(27)32/h10,17-19,21-26,32-35H,9,11-16H2,1-8H3/t17-,18+,19-,21-,22+,23+,24+,25+,26+,29-,30-,31-/m1/s1
SMILES[C@H]1(O[C@H](CC1)C[C@@H](C[C@H](CCCCCCCCC[CH]CCC1=C[C@H](OC1=O)C)O)OC(=O)C)[C@@H](CCCCCCCCCCCC)O
SMART[H]C(CCCCCCCCC[C@H](O)C[C@H](C[C@H]1CC[C@@H](O1)[C@H](O)CCCCCCCCCCC[#6])OC([#6])=O)CCC1=C[C@@H]([#6])OC1=O
CAS No.129357-90-0;58546-34-2;58546-34-2
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C527627
HIT   -
NCI-60 GI50 data   -
Suppliers NA, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   No
Veber filter   No
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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