NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundArtoindonesianins I
NPACT-IdNPACT00286
IUPAC10-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-hydroxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-8-(2,4,5-trihydroxyphenyl)pyrano[3,2-g]chromen-6-one
Synonyms-
PubChem Id-
ClassFlavonoid
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyYJANCZZITMMVGS-HSZRJFAPSA-N
InChi1S/C30H34O7/c1-15(2)7-10-19-25(33)24-26(34)21-14-23(30(5,6)35)36-28(21)20(11-8-16(3)4)29(24)37-27(19)18-12-9-17(31)13-22(18)32/h7-9,12-13,23,31-32,34-35H,10-11,14H2,1-6H3/t23-/m1/s1
SMILESc12c(c3c(c(O)c2CC(O1)C(C)(C)O)c(=O)c(c(o3)c1ccc(cc1O)O)CC=C(C)C)CC=C(C)C
SMART[#6]C([#6])=CCC1=C2O[C@H](CC2=C(O)C2=C1OC(=C(CC=C(/[#6])[#6])C2=O)C1=C(O)C=C(O)C=C1)[C@@]([#6])([#6])O
CAS No.-
Structure
Download

Cross Refrence in other databases
Super Natural   -
CTD   C443700
HIT   -
NCI-60 GI50 data   -
Suppliers NA, 
Drug-Likeliness Filters Lipinski's rule of five   No
Ghose filter   No
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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