NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compounddeacetoxymatricarin
NPACT-IdNPACT01184
IUPAC-
SynonymsDesacetoxymatricarin;Leukomisin;Axillin;Leucodine;Leukodin;Deacetoxymatricarin;Desacetoxymatricarine
PubChem Id167683
ClassTerpenoids
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyBJPSSVHNEGMBDQ-NUZBWSBOSA-N
InChi1S/C15H18O3/c1-7-4-5-10-9(3)15(17)18-14(10)13-8(2)6-11(16)12(7)13/h6,9-10,13-14H,4-5H2,1-3H3/t9-,10-,13-,14-/m0/s1
SMILESO1[C@H]2[C@H]([C@@H](C1=O)C)CCC(=C1[C@@H]2C(=CC1=O)C)C
SMART[H]C1=C(C([H])([H])[H])[C@@]2([H])C(C1=O)=C(C([H])([H])[H])C([H])([H])C([H])([H])[C@]1([H])[C@]2([H])OC(=O)[C@@]1([H])C([H])([H])[H]
CAS No.17946-87-1
Structure
Download

Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers AAA Chemistry, ABI Chem, Ambinter, Kingston Chemistry, ZINC, 
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.