NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compoundtaxuspine
NPACT-IdNPACT01345
IUPAC-
Synonyms-
PubChem Id5321748
ClassTerpenoids
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyCWMUWKWZNUFEDY-HHUKPFFDSA-N
InChi1S/C28H38O10/c1-12-19(33)10-18-24(36-15(4)30)23-13(2)20(34)11-21(35-14(3)29)28(23,9)26(38-17(6)32)25(37-16(5)31)22(12)27(18,7)8/h18,20-21,23-26,34H,2,10-11H2,1,3-9H3/t18?,20-,21-,23-,24+,25+,26-,28+/m0/s1
SMILESO([C@H]1[C@H]2[C@]([C@@H](OC(=O)C)[C@H](OC(=O)C)C3=C(C(=O)CC1C3(C)C)C)([C@@H](OC(=O)C)C[C@H](O)C2=C)C)C(=O)C
SMART[#6]C(=O)O[C@H]1C[C@H](O)C(=C)[C@H]2[C@H](OC([#6])=O)C3CC(=O)C([#6])=C([C@@H](OC([#6])=O)[C@H](OC([#6])=O)[C@]12[#6])C3([#6])[#6]
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   No
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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