NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundMangostenone D
NPACT-IdNPACT00750
IUPAC5,9,11-trihydroxy-3,3-dimethyl-10-(3-methylbut-2-enyl)-1,2-dihydropyrano[3,2-a]xanthen-12-one
Synonyms-
PubChem Id11696901
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 KeyVEUQWGPUUYXBDE-UHFFFAOYSA-N
InChi1S/C23H24O6/c1-11(2)5-6-12-14(24)9-17-19(20(12)26)21(27)18-13-7-8-23(3,4)29-22(13)15(25)10-16(18)28-17/h5,9-10,24-26H,6-8H2,1-4H3
SMILESO1C(CCc2c1c(O)cc1oc3c(c(=O)c21)c(O)c(c(O)c3)CC=C(C)C)(C)C
SMART[#6]C([#6])=CCC1=C(O)C2=C(OC3=C(C2=O)C2=C(O[C@@]([#6])([#6])CC2)C(O)=C3)C=C1O
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   Yes
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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