NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundBigelovin
NPACT-IdNPACT00334
IUPAC5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one
Synonyms-
PubChem Id3080597
ClassTerpenoids
In-vitro anticancer activtiy 6 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyDCNRYQODUSSOKC-MMLVVLEOSA-N
InChi1S/C17H20O5/c1-8-7-12-14(9(2)16(20)22-12)15(21-10(3)18)17(4)11(8)5-6-13(17)19/h5-6,8,11-12,14-15H,2,7H2,1,3-4H3/t8-,11+,12+,14-,15+,17+/m1/s1
SMILESO1[C@@H]2[C@H]([C@H](OC(=O)C)[C@]3([C@H]([C@@H](C2)C)C=CC3=O)C)C(=C)C1=O
SMART[H]C([H])=C1C(=O)O[C@@]2([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@]3([H])C([H])=C([H])C(=O)[C@@]3(C([H])([H])[H])[C@@]([H])(OC(=O)C([H])([H])[H])[C@]12[H]
CAS No.3668-14-2
Structure
Download

Cross Refrence in other databases
Super Natural   -
CTD   C099796
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






Copyright © 2012. Subhash M. Agagrwal. All Rights Reserved.