NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundDiuvaretin
NPACT-IdNPACT01193
IUPAC-
Synonyms1-(2,4-Dihydroxy-3,5-bis((2-hydroxyphenyl)methyl)-6-metoxyphenyl)-3-phenyl-1-propanone;1-[2,4-dihydroxy-3,5-bis[(2-hydroxyphenyl)methyl]-6-methoxyphenyl]-3-phenylpropan-1-one;1-Propanone, 1-(2,4-dihydroxy-3,5-bis((2-hydroxyphenyl)methyl)-6-metoxyphenyl)-3-phenyl-;
PubChem Id3085222
ClassFlavonoid
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsCASP3 |   All | 
Properties Physical   Elemental  Topological
InChi KeyKDEMELRYKGOXDL-UHFFFAOYSA-N
InChi1S/C30H28O6/c1-36-30-23(18-21-12-6-8-14-25(21)32)28(34)22(17-20-11-5-7-13-24(20)31)29(35)27(30)26(33)16-15-19-9-3-2-4-10-19/h2-14,31-32,34-35H,15-18H2,1H3
SMILESO(c1c(c(O)c(c(O)c1C(=O)CCc1ccccc1)Cc1c(O)cccc1)Cc1c(O)cccc1)C
SMART[H]OC1=C([H])C([H])=C([H])C([H])=C1C([H])([H])C1=C(O[H])C(=C(OC([H])([H])[H])C(C(=O)C([H])([H])C([H])([H])C2=C([H])C([H])=C([H])C([H])=C2[H])=C1O[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1O[H]
CAS No.61463-04-5
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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