NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundDiacetylphiladelphicalactone C
NPACT-IdNPACT00499
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 KeyCGFNRECPWASOKJ-COOHOGKHSA-N
InChi1S/C32H44O10/c1-15-27(36)41-25(14-29(15,5)37)31(7,38)26-21(39-16(2)33)13-20-18-12-24-32(42-24)23(40-17(3)34)9-8-22(35)30(32,6)19(18)10-11-28(20,26)4/h8-9,15,18-21,23-26,37-38H,10-14H2,1-7H3/t15-,18+,19-,20-,21-,23-,24+,25+,26-,28-,29+,30-,31-,32+/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)OC(=O)C)[C@@]([C@@H]1OC(=O)[C@@H]([C@@](C1)(O)C)C)(C)O)C)C)OC(=O)C
SMART[H][C@@]12C[C@H](OC([#6])=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](OC([#6])=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   No
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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