NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound23,24-dihydrocucurbitacin F
NPACT-IdNPACT00077
IUPAC(2S,3S,8S,9R,10R,13R,14S,16R)-17-[(2R)-2,6-dihydroxy-6-methyl-3-oxoheptan-2-yl]-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one
Synonyms22,23-dihydrocucurbitacin E
PubChem Id72421
ClassTerpenoids
In-vitro anticancer activity 4 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyVVBWBGOEAVGFTN-BLGDFNBKSA-N
InChi1S/C30H48O7/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/h9,17-20,23-24,31-32,35-37H,10-15H2,1-8H3/t17-,18+,19-,20+,23?,24-,27+,28-,29+,30+/m1/s1
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)CCC(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])([H])C([H])([H])[C@@](O[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers AAA Chemistry, ABI Chem, IS Chemical Technology, Kingston Chemistry, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   No
Veber filter   Yes
Muegge Filter   Yes
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