NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundAlvaradoins I
NPACT-IdNPACT00250
IUPAC[(2R,3R,4R,5R,6S)-2-acetyloxy-3,5-dihydroxy-6-[(9S)-4,5,9-trihydroxy-2-methyl-10-oxoanthracen-9-yl]oxan-4-yl]3-methylbut-2-enoate
Synonyms-
PubChem Id44424600
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 KeyCWTBVTWONZDFAF-IQKWJPHWSA-N
InChi1S/C27H28O11/c1-11(2)8-18(31)37-24-22(33)25(38-26(23(24)34)36-13(4)28)27(35)14-6-5-7-16(29)19(14)21(32)20-15(27)9-12(3)10-17(20)30/h5-10,22-26,29-30,33-35H,1-4H3/t22-,23-,24-,25+,26+,27-/m1/s1
SMILESO1[C@H]([C@]2(O)c3c(C(=O)c4c2cccc4O)c(O)cc(c3)C)[C@H](O)[C@@H](OC(=O)C=C(C)C)[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(O[H])[C@@]1([H])O[C@]([H])(OC(=O)C([H])([H])[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   No
Ghose filter   No
Veber filter   No
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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