NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a a
CompoundAlvaradoins F
NPACT-IdNPACT00247
IUPAC[(2R,3R,4R,5S,6R)-2-acetyloxy-6-[(9R)-4,5-dihydroxy-2-methyl-10-oxo-9H-anthracen-9-yl]-3,5-dihydroxyoxan-4-yl]3-methylbut-2-enoate
Synonyms-
PubChem Id44424597
ClassPolycyclic aromatic natural products
In-vitro anticancer activtiy 5 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyANCSMTDJGPZSRP-MGOVIWOVSA-N
InChi1S/C22H22O9/c1-8-6-11-14(21-19(28)18(27)20(29)22(31-21)30-9(2)23)10-4-3-5-12(24)15(10)17(26)16(11)13(25)7-8/h3-7,14,18-22,24-25,27-29H,1-2H3/t14-,18-,19-,20-,21-,22+/m1/s1
SMILESO1[C@H]([C@H]2c3c(C(=O)c4c2cccc4O)c(O)cc(c3)C)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1OC(=O)C
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])(OC(=O)C([H])([H])[H])[C@]([H])(O[H])[C@]([H])(O[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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