NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compoundmulberrofuran B
NPACT-IdNPACT01268
IUPAC-
SynonymsMulberrofuran B;5-(7-((2E)-3,7-DIMETHYL-2,6-OCTADIENYL)-6-METHOXY-2-BENZOFURANYL)RESORCINOL;5-[7-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-methoxy-1-benzofuran-2-yl]benzene-1,3-diol;1,3-Benzenediol, 5-(7-((2E)-3,7-dimethyl-2,6-octadienyl)-6-methoxy-2-benzofuranyl)-
PubChem Id6440635
ClassBenzofuranoids
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyOZLRLDMVAJOIKX-CAOOACKPSA-N
InChi1S/C25H28O4/c1-16(2)6-5-7-17(3)8-10-22-23(28-4)11-9-18-14-24(29-25(18)22)19-12-20(26)15-21(27)13-19/h6,8-9,11-15,26-27H,5,7,10H2,1-4H3/b17-8+
SMILESo1c2c(C/C=C(/CCC=C(C)C)C)c(OC)ccc2cc1c1cc(O)cc(O)c1
SMART[H]OC1=C([H])C(=C([H])C(O[H])=C1[H])C1=C([H])C2=C(O1)C(=C(OC([H])([H])[H])C([H])=C2[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]
CAS No.79295-49-1
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, Angene International, 
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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