NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundBalsaminapentaol A
NPACT-IdNPACT00303
IUPAC(3S,4S,7S,8R,9S,10S,13R,14S,17R)-4-(hydroxymethyl)-17-[(2R,4R)-4-hydroxy-6-methylhept-5-en-2-yl]-4,9,13,14-tetramethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
SynonymsBALSAMINAPENTAOL A
PubChem Id44607275
ClassTerpenoids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyLJWAEAIXBCCHLR-ITWKNSBQSA-N
InChi1S/C30H50O5/c1-17(2)25(35)22(32)14-18(3)19-10-11-30(7)26-23(33)15-21-20(8-9-24(34)28(21,5)16-31)27(26,4)12-13-29(19,30)6/h15,18-20,22-26,31-35H,1,8-14,16H2,2-7H3/t18-,19-,20-,22-,23+,24+,25-,26-,27+,28-,29-,30+/m1/s1
SMILESO[C@@H]1[C@H]2[C@]3([C@@]([C@H](CC3)[C@@H](C[C@@H](O)[C@H](O)C(=C)C)C)(CC[C@]2([C@H]2C(=C1)[C@]([C@@H](O)CC2)(CO)C)C)C)C
SMART[H]OC([H])([H])[C@@]1(C2=C([H])[C@]([H])(O[H])[C@@]3([H])[C@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])[C@@]([H])(O[H])[C@]([H])(O[H])C(=C([H])[H])C([H])([H])[H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]3(C([H])([H])[H])[C@]2([H])C([H])([H])C([H])([H])[C@]1([H])O[H])C([H])([H])[H]
CAS No.-
Structure
Download

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.