NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound23,24-Dihydrocucurbitacin B
NPACT-IdNPACT00075
IUPAC[6-(2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-hydroxy-2-methyl-5-oxoheptan-2-yl] acetate
SynonymsDihydrocucurbitacin Q1;Hemslecin A;Cucurbitacin Iia
PubChem Id588303
ClassTerpenoids
In-vitro anticancer activtiy 6 cancer cell lines
In-Vivo anticancer activtiy No
TargetsCASP3 | CASP8 | CASP9 | PARP1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyQZJJDOYZVRUEDY-UHFFFAOYSA-N
InChi1S/C32H48O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,19-22,25,34-35,39H,11-16H2,1-9H3
SMILESO[C@@H]1[C@@H]([C@@]2([C@@]([C@@H]3[C@]([C@H]4C(=CC3)C(C(=O)[C@@H](O)C4)(C)C)(C(=O)C2)C)(C1)C)C)[C@](O)(C)C(=O)CCC(OC(=O)C)(C)C
SMART[#6]C(=O)O[C@]([#6])([#6])CCC(=O)[C@]([#6])(O)[C@H]1[C@@H](O)C[C@]2([#6])[C@H]3CC=C4[C@@H](C[C@H](O)C(=O)[C@@]4([#6])[#6])[C@]3([#6])C(=O)C[C@]12[#6]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C478086
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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