NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundSamaderine Z
NPACT-IdNPACT00934
IUPAC-
Synonyms-
PubChem Id-
ClassTerpenoids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyQTZILTONFNPYHM-NIQBXDPWSA-N
InChi1S/C21H28O8/c1-8-5-10(22)14(24)18(2)9(8)6-11-21-7-28-20(4,15(25)12(23)13(18)21)19(21,3)16(26)17(27)29-11/h5,9,11-16,23-26H,6-7H2,1-4H3/t9-,11+,12-,13-,14-,15-,16-,18+,19-,20-,21-/m0/s1
SMILES[C@@H]1(C(=O)C=C([C@H]2[C@@]1([C@H]1[C@]34[C@@H](C2)OC(=O)[C@@H]([C@]3([C@]([C@H]([C@H]1O)O)(OC4)C)C)O)C)C)O
SMART[H][C@@]12C[C@@]3([H])C([#6])=CC(=O)[C@H](O)[C@@]3([#6])[C@]3([H])[C@H](O)[C@H](O)[C@]4([#6])OC[C@]13[C@@]4([#6])[C@@H](O)C(=O)O2
CAS No.64356-67-8
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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