NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundBalsaminols D
NPACT-IdNPACT00308
IUPAC(3S,8R,9S,10S,13R,14S,17R)-3-hydroxy-17-[(2R,4R)-4-hydroxy-6-methylhept-5-en-2-yl]-4,4,9,13,14-pentamethyl-1,2,3,8,10,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-7-one
Synonyms-
PubChem Id52947048
ClassTerpenoids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyNBZHVWXCQLFQNW-ATYSFEEYSA-N
InChi1S/C27H42O4/c1-16(13-17(2)29)18-9-10-27(6)23-21(30)14-20-19(7-8-22(31)25(20,4)15-28)24(23,3)11-12-26(18,27)5/h14,16,18-19,22-23,28,31H,7-13,15H2,1-6H3/t16-,18-,19-,22+,23-,24+,25-,26-,27+/m1/s1
SMILESO=C1[C@H]2[C@]3([C@@]([C@H](CC3)[C@@H](CC(=O)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(=O)[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(=O)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
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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

 






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