NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundPhiladelphicalactone C
NPACT-IdNPACT00860
IUPAC-
Synonyms-
PubChem Id-
ClassSteroids
In-vitro anticancer activity 6 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyAUYMUBSSDGARRM-ZAXLKICJSA-N
InChi1S/C28H40O8/c1-13-23(32)35-21(12-25(13,3)33)27(5,34)22-17(29)11-16-14-10-20-28(36-20)19(31)7-6-18(30)26(28,4)15(14)8-9-24(16,22)2/h6-7,13-17,19-22,29,31,33-34H,8-12H2,1-5H3/t13-,14+,15-,16-,17-,19-,20+,21+,22-,24-,25+,26-,27-,28+/m0/s1
SMILESC1(=O)C=C[C@@H]([C@]23[C@]1([C@@H]1[C@@H](C[C@H]2O3)[C@H]2[C@](CC1)([C@H]([C@H](C2)O)[C@@]([C@@H]1OC(=O)[C@@H]([C@@](C1)(O)C)C)(C)O)C)C)O
SMART[H][C@@]12C[C@H](O)[C@H]([C@@]([#6])(O)[C@@]3([H])C[C@@]([#6])(O)[C@@H]([#6])C(=O)O3)[C@@]1([#6])CC[C@@]1([H])[C@@]2([H])C[C@H]2O[C@]22[C@@H](O)C=CC(=O)[C@]12[#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   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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