NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundAlvaradoins G
NPACT-IdNPACT00248
IUPAC[(2S,3R,4R,5S,6S)-2-acetyloxy-6-[(9S)-4,5-dihydroxy-2-methyl-10-oxo-9H-anthracen-9-yl]-3,5-dihydroxyoxan-4-yl]3-methylbut-2-enoate
Synonyms-
PubChem Id44424598
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 KeyNVWRUTJMHZBGQX-ZSXTWDPGSA-N
InChi1S/C27H28O10/c1-11(2)8-18(31)36-26-23(33)25(37-27(24(26)34)35-13(4)28)19-14-6-5-7-16(29)20(14)22(32)21-15(19)9-12(3)10-17(21)30/h5-10,19,23-27,29-30,33-34H,1-4H3/t19-,23+,24-,25-,26-,27+/m1/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]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])(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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