NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundBeta-Mangostin
NPACT-IdNPACT00326
IUPAC1-[(2Z)-2-(2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene)ethylidene]-6-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydroindol-1-ium-2-carboxylate
Synonyms-
PubChem Id-
ClassSimple aromatic natural products
In-vitro anticancer activity 4 cancer cell lines
In-Vivo anticancer activity No
TargetsNFKB1 | RELA |   All | 
Properties Physical   Elemental  Topological
InChi KeyXUBGVPPNJQYZTR-WQRHYEAKSA-N
InChi1S/C27H32O5/c1-16(2)9-7-11-18-20-13-24(31-6)21(28)14-23(20)32-25-15-22(30-5)19(27(29)26(18)25)12-8-10-17(3)4/h9-11,13-15,28-29H,7-8,12H2,1-6H3/b18-11-
SMILESc1c(c(cc2c1/C(=C/CC=C(C)C)/c1c(O2)cc(c(c1O)CCC=C(C)C)OC)O)OC
SMART[H]C1=C(O)C(O[#6])=CC2=C1OC1=C(C(O)=C(CCC=C([#6])[#6])C(O[#6])=C1)C2=C/CC=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   No
Ghose filter   No
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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