NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound4,4'-Dihydroxy-7,7'-dioxolign-8(8')-ene
NPACT-IdNPACT01416
IUPAC(E)-1,4-bis(4-hydroxyphenyl)-2,3-dimethylbut-2-ene-1,4-dione
Synonyms-
PubChem Id11197216
ClassLignans
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyMEZXYSSUYJRMBP-VAWYXSNFSA-N
InChi1S/C18H16O4/c1-11(17(21)13-3-7-15(19)8-4-13)12(2)18(22)14-5-9-16(20)10-6-14/h3-10,19-20H,1-2H3/b12-11+
SMILESO=C(/C(=C(/C(=O)c1ccc(O)cc1)C)/C)c1ccc(O)cc1
SMART[#6]C(=C([#6])C(=O)C1=CC=C(O)C=C1)C(=O)C1=CC=C(O)C=C1
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C494255
HIT   -
NCI-60 GI50 data   -
Suppliers NA, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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