NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundBalsaminol F
NPACT-IdNPACT00306
IUPAC(3S,4S,8R,9S,10S,13R,14S,17R)-3-hydroxy-4-(hydroxymethyl)-4,9,13,14-tetramethyl-17-[(2R)-6-methyl-4-oxohept-5-en-2-yl]-1,2,3,8,10,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-7-one
Synonyms-
PubChem Id-
ClassTerpenoids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyWKIUWXJRQZRPNJ-HCBDOCHMSA-N
InChi1S/C30H50O3/c1-18(2)15-20(31)16-19(3)21-11-12-30(8)26-24(32)17-23-22(9-10-25(33)27(23,4)5)28(26,6)13-14-29(21,30)7/h15,17,19-22,24-26,31-33H,9-14,16H2,1-8H3/t19-,20+,21-,22-,24+,25+,26-,28+,29-,30+/m1/s1
SMILESC1C[C@@H](C(C2=C[C@@H]([C@@H]3[C@]([C@H]12)(CC[C@@]1([C@H](CC[C@@]31C)[C@@H](C[C@H](C=C(C)C)O)C)C)C)O)(C)C)O
SMART[H][C@@]12CC[C@H](O)[C@@]([#6])([#6])C1=C[C@H](O)[C@@]1([H])[C@]3([#6])CC[C@H]([C@H]([#6])C[C@@H](O)C=C(/[#6])[#6])[C@@]3([#6])CC[C@@]21[#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   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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