NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundAlvaradoins M
NPACT-IdNPACT00254
IUPAC[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-[(9S)-4,5,9-trihydroxy-2-methyl-10-oxoanthracen-9-yl]oxan-2-yl] acetate
Synonyms-
PubChem Id44424604
ClassPolycyclic aromatic natural products
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyXVEVCPOACUOIOH-RUSJTPRDSA-N
InChi1S/C25H26O9/c1-10(2)7-16(28)33-24-21(30)23(34-25(32)22(24)31)17-12-5-4-6-14(26)18(12)20(29)19-13(17)8-11(3)9-15(19)27/h4-9,17,21-27,30-32H,1-3H3/t17-,21-,22+,23+,24+,25-/m0/s1
SMILESO1[C@H]([C@@H]2c3c(C(=O)c4c2cccc4O)c(O)cc(c3)C)[C@H](O)[C@@H](OC(=O)C=C(C)C)[C@@H](O)[C@H]1O
SMART[H]OC1=C([H])C([H])=C([H])C2=C1C(=O)C1=C(C([H])=C(C([H])=C1O[H])C([H])([H])[H])[C@@]2([H])[C@@]1([H])O[C@]([H])(O[H])[C@]([H])(O[H])[C@]([H])(OC(=O)C([H])=C(/C([H])([H])[H])C([H])([H])[H])[C@@]1([H])O[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   Yes
Ghose filter   Yes
Veber filter   No
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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