NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound2,3-dihydro-3-beta -methoxyixocarpalactone A
NPACT-IdNPACT01485
IUPAC-
Synonyms-
PubChem Id-
ClassSteroids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyXXPLXMJONPLTJU-YDDVVJAJSA-N
InChi1S/C29H44O9/c1-12-13(2)25(34)37-21(12)24(33)28(5,35)22-17(30)10-16-14-9-20-29(38-20)23(32)18(36-6)11-19(31)27(29,4)15(14)7-8-26(16,22)3/h12-18,20-24,30,32-33,35H,7-11H2,1-6H3/t12-,13-,14?,15?,16+,17+,18+,20-,21?,22?,23+,24-,26+,27+,28-,29+/m1/s1
SMILESC1(=O)C[C@@H]([C@@H]([C@]23[C@]1(C1C(C[C@H]2O3)[C@H]2[C@](CC1)(C([C@H](C2)O)C([C@@H](C1[C@@H]([C@H](C(=O)O1)C)C)O)(O)C)C)C)O)OC
SMART[H][C@@]12C[C@H](O)C([C@@]([#6])(O)[C@H](O)C3OC(=O)[C@H]([#6])[C@H]3[#6])[C@@]1([#6])CCC1C2C[C@H]2O[C@]22[C@@H](O)[C@H](CC(=O)[C@]12[#6])O[#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.