NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compoundmulberrofuran X
NPACT-IdNPACT01272
IUPAC-
Synonyms-
PubChem Id21588168
ClassBenzofuranoids
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyHDAQXXCKXVBBEI-GIJQJNRQSA-N
InChi1S/C29H34O5/c1-17(2)7-6-8-18(3)9-11-21-24(31)12-10-19-13-25(34-28(19)21)22-14-20(30)15-26-23(22)16-27(33-26)29(4,5)32/h7,9-10,12-15,27,30-32H,6,8,11,16H2,1-5H3/b18-9+
SMILESO1C(C(O)(C)C)Cc2c1cc(O)cc2c1oc2c(c1)ccc(O)c2C/C=C(/CCC=C(C)C)C
SMART[H]OC1=C([H])C(C2=C([H])C3=C(O2)C(=C(O[H])C([H])=C3[H])C([H])([H])C([H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(/C([H])([H])[H])C([H])([H])[H])=C2C(O[C@@]([H])(C2([H])[H])[C@](O[H])(C([H])([H])[H])C([H])([H])[H])=C1[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   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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