NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundAnanixanthone
NPACT-IdNPACT00261
IUPAC(2S)-2-methyl-4-[(2R,8R,13R)-2,8,13-trihydroxy-13-[(2R,5R)-5-[(2R,5R)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2H-furan-5-one
Synonyms-
PubChem Id493305
ClassSimple aromatic natural products
In-vitro anticancer activity 4 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyWPZXDFBXPYQMFK-UHFFFAOYSA-N
InChi1S/C23H22O5/c1-12(2)8-9-14-19(26)17-18(25)13-6-5-7-16(24)21(13)27-22(17)15-10-11-23(3,4)28-20(14)15/h5-8,10-11,24,26H,9H2,1-4H3
SMILESO1C(C=Cc2c1c(c(O)c1c2oc2c(c1=O)cccc2O)CC=C(C)C)(C)C
SMART[H]OC1=C([H])C([H])=C([H])C2=C1OC1=C3C([H])=C([H])[C@](OC3=C(C(O[H])=C1C2=O)C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, 
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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