NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundAltaicalarins D
NPACT-IdNPACT00245
IUPAC[(2S,3R,4R,5R,6S)-6-[(9S)-4,5-dihydroxy-2-methyl-10-oxo-9H-anthracen-9-yl]-3,4,5-trihydroxyoxan-2-yl] acetate
Synonyms-
PubChem Id46186621
ClassTerpenoids
In-vitro anticancer activtiy 4 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyVMZMBTIZKOPION-LAFIFDADSA-N
InChi1S/C27H36O9/c1-10-13(3)24(30)33-17(12-18-26(7,8)35-18)15(5)19-20(32-16(6)28)22(29)27(9)23(36-27)21(19)34-25(31)14(4)11-2/h10-11,17-21,23H,5,12H2,1-4,6-9H3/b13-10-,14-11-/t17?,18?,19-,20-,21-,23-,27+/m0/s1
SMILESO1[C@]2([C@@H]1[C@@H](OC(=O)/C(=CC)/C)[C@H]([C@H](OC(=O)C)C2=O)C(=C)[C@H](OC(=O)/C(=CC)/C)C[C@@H]1OC1(C)C)C
SMART[H]C([H])=C([C@]([H])(OC(=O)C(=C([H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[C@]1([H])O[C@]1(C([H])([H])[H])C([H])([H])[H])[C@@]1([H])[C@]([H])(OC(=O)C([H])([H])[H])C(=O)[C@]2(O[C@@]2([H])[C@@]1([H])OC(=O)C(=C([H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
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   No
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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