NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundCucurbitacin F
NPACT-IdNPACT00452
IUPAC(8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthrene-3,11-dione
Synonyms-
PubChem Id5476663
ClassTerpenoids
In-vitro anticancer activtiy 5 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyAOHIGMQGPFTKQX-VAWYXSNFSA-N
InChi1S/C30H46O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17-20,23-24,31-32,35-37H,10,13-15H2,1-8H3/b12-11+
SMILESO[C@@H]1[C@@H]([C@@]2([C@@]([C@@H]3[C@@]([C@H]4C(=CC3)C([C@H](O)[C@@H](O)C4)(C)C)(C(=O)C2)C)(C1)C)C)[C@@](O)(C)C(=O)/C=C/C(O)(C)C
SMART[H]O[C@@]1([H])C([H])([H])[C@]2(C([H])([H])[H])[C@@]3([H])C([H])([H])C([H])=C4[C@@]([H])(C([H])([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]4(C([H])([H])[H])C([H])([H])[H])[C@]3(C(=O)C([H])([H])[C@]2(C([H])([H])[H])[C@@]1([H])[C@](O[H])(C(=O)C([H])=C(/[H])[C@@](O[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
CAS No.5939-57-1
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   No
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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