NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundHomoharringtonine
NPACT-IdNPACT00664
IUPAC-
Synonyms(4|A)-o3-[2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine
PubChem Id72332
ClassAlkaloids
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsCASP3 | CASP9 | CYCS | MCL1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyHYFHYPWGAURHIV-ZEDNPHJLSA-N
InChi1S/C29H39NO9/c1-27(2,33)8-5-10-29(34,16-23(31)36-4)26(32)39-25-22(35-3)15-28-9-6-11-30(28)12-7-18-13-20-21(38-17-37-20)14-19(18)24(25)28/h13-15,24-25,33-34H,5-12,16-17H2,1-4H3/t24-,25+,28-,29?/m0/s1
SMILESO([C@H]1[C@H]2[C@@]3(N(CCC3)CCc3c2cc2OCOc2c3)C=C1OC)C(=O)[C@@](O)(CCCC(O)(C)C)CC(=O)OC
SMART[H]O[C@@](C(=O)O[C@]1([H])C(OC([H])([H])[H])=C([H])[C@@]23[N@@](C([H])([H])C([H])([H])C2([H])[H])C([H])([H])C([H])([H])C2=C([H])C4=C(OC([H])([H])O4)C([H])=C2[C@@]13[H])(C([H])([H])C(=O)OC([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@](O[H])(C([H])([H])[H])C([H])([H])[H]
CAS No.26833-87-4
Structure
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Cross Refrence in other databases
Super Natural   026833874
CTD   C001652
HIT   C0278
NCI-60 GI50 data   26833-87-4
Suppliers AAA Chemistry, ABI Chem, ChemMol, Kingston Chemistry, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   No
Veber filter   No
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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