NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundMangostenone C
NPACT-IdNPACT00749
IUPAC(2S,3R)-3,4,8-trihydroxy-2-(2-hydroxypropan-2-yl)-7-methoxy-6-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-b]xanthen-5-one
Synonyms-
PubChem Id11546716
ClassSimple aromatic natural products
In-vitro anticancer activity 3 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyINYICHQLUHYLEX-GGAORHGYSA-N
InChi1S/C24H26O8/c1-10(2)6-7-11-16-13(8-12(25)22(11)30-5)31-14-9-15-18(20(27)17(14)19(16)26)21(28)23(32-15)24(3,4)29/h6,8-9,21,23,25,27-29H,7H2,1-5H3/t21-,23+/m1/s1
SMILESO1[C@@H]([C@H](O)c2c1cc1oc3c(c(=O)c1c2O)c(c(OC)c(O)c3)CC=C(C)C)C(O)(C)C
SMART[#6]OC1=C(O)C=C2OC3=CC4=C([C@@H](O)[C@H](O4)[C@]([#6])([#6])O)C(O)=C3C(=O)C2=C1CC=C([#6])[#6]
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   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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