NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound17-alpha-H-periplogenin-3-O-beta-d-cymaroside
NPACT-IdNPACT00047
IUPAC-
Synonyms-
PubChem Id-
ClassSteroids
In-vitro anticancer activtiy 2 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyKCHLRMMLBIREDO-NHGDCSSCSA-N
InChi1S/C31H48O8/c1-18-27(33)24(36-4)14-26(39-18)38-16-19-5-9-28(2)22-6-10-29(3)21(20-13-25(32)37-17-20)8-12-31(29,35)23(22)7-11-30(28,34)15-19/h13,18-19,21-24,26-27,33-35H,5-12,14-17H2,1-4H3/t18-,19+,21+,22+,23-,24+,26-,27-,28-,29-,30+,31+/m1/s1
SMILESC1C[C@@H](C[C@@]2([C@]1([C@@H]1[C@@H](CC2)[C@@]2([C@](CC1)([C@@H]([CH]C2)C1=CC(=O)OC1)C)O)C)O)CO[C@@H]1O[C@@H]([C@H]([C@H](C1)OC)O)C
SMART[H]C1C[C@]2(O)[C@]3([H])CC[C@]4(O)C[C@@H](CO[C@H]5C[C@H](O[#6])[C@H](O)[C@@H]([#6])O5)CC[C@]4([#6])[C@@]3([H])CC[C@]2([#6])[C@]1([H])C1=CC(=O)OC1
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   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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