NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundCucurbita-5,23(E)-diene-3-beta,7-beta,25-triol
NPACT-IdNPACT00447
IUPAC[(E,6R)-6-[(2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-9-(hydroxymethyl)-4,4,13,14-tetramethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate
Synonyms-
PubChem Id25016665
ClassTerpenoids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyFDINJVUVNVFMKX-NGPVLLJVSA-N
InChi1S/C30H50O3/c1-19(10-9-14-26(2,3)33)20-13-15-30(8)25-23(31)18-22-21(11-12-24(32)27(22,4)5)28(25,6)16-17-29(20,30)7/h9,14,18-21,23-25,31-33H,10-13,15-17H2,1-8H3/b14-9+/t19-,20-,21-,23+,24+,25-,28+,29-,30+/m1/s1
SMILESO[C@@H]1[C@H]2[C@]3([C@@]([C@H](CC3)[C@@H](C/C=C/C(O)(C)C)C)(CC[C@]2([C@H]2C(=C1)C([C@@H](O)CC2)(C)C)C)C)C
SMART[#6][C@H](CC=C[C@@](O)([#6])[#6])[C@H]1CC[C@@]2([#6])[C@@H]3[C@@H](O)C=C4[C@@H](CC[C@H](O)[C@@]4([#6])[#6])[C@]3([#6])CC[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   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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