NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundPhiladelphicalactone D
NPACT-IdNPACT00861
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 KeyTZGRZUNWHGVRMU-RBAHIWJHSA-N
InChi1S/C28H40O7/c1-14-23(30)34-19(13-25(14,3)31)27(5,32)17-9-8-15-20-16(10-12-24(15,17)2)26(4)18(29)7-6-11-28(26,33)22-21(20)35-22/h6-7,14-17,19-22,31-33H,8-13H2,1-5H3/t14-,15-,16-,17-,19+,20-,21-,22-,24-,25+,26-,27+,28-/m0/s1
SMILESC1(=O)C=CC[C@]2([C@]1([C@@H]1[C@@H]([C@H]3[C@@H]2O3)[C@H]2[C@](CC1)([C@H](CC2)[C@@]([C@@H]1OC(=O)[C@@H]([C@@](C1)(O)C)C)(C)O)C)C)O
SMART[H][C@@]12CC[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@@H]2O[C@@H]2[C@@]2(O)CC=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   Yes
Ghose filter   No
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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