NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
Compounderybraedin C
NPACT-IdNPACT01198
IUPAC-
Synonyms4,7-bis(3-methylbut-2-enyl)-6a,11a-dihydro-6h-benzofurano[3,2-c]chromene-3,9-diol;6H-Benzofuro[3,2-c][1]benzopyran-3,9-diol, 6a,11a-dihydro-4,8-bis(3-methyl-2-butenyl)-, (6aR, 11aR-cis)-;;
PubChem Id471688
ClassFlavonoid
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyKBTBQFJRGUJDBI-UHFFFAOYSA-N
InChi1S/C25H28O4/c1-14(2)5-7-16-11-17(26)12-22-23(16)20-13-28-24-18(8-6-15(3)4)21(27)10-9-19(24)25(20)29-22/h5-6,9-12,20,25-27H,7-8,13H2,1-4H3
SMILESO1C2C(c3c1cc(O)cc3CC=C(C)C)COc1c2ccc(O)c1CC=C(C)C
SMART[H]OC1=C([H])C(=C2C(O[C@]3([H])C4=C(OC([H])([H])[C@]23[H])C(=C(O[H])C([H])=C4[H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])=C1[H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H]
CAS No.119269-74-8
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C488769
HIT   -
NCI-60 GI50 data   -
Suppliers AAA Chemistry, 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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