NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound1-hydroxy-2-hydroxymethyl-3-methoxyanthraquinone
NPACT-IdNPACT01062
IUPAC-
Synonyms-
PubChem Id10085264
ClassPolycyclic aromatic natural products
In-vitro anticancer activtiy 3 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyTYKBLFIFAWWLCZ-UHFFFAOYSA-N
InChi1S/C16H12O5/c1-21-12-6-10-13(16(20)11(12)7-17)15(19)9-5-3-2-4-8(9)14(10)18/h2-6,17,20H,7H2,1H3
SMILESO(c1c(c(O)c2c(C(=O)c3c(C2=O)cccc3)c1)CO)C
SMART[H]OC1=C2C(=O)C3=C([H])C([H])=C([H])C([H])=C3C(=O)C2=C([H])C(OC([H])([H])[H])=C1C([H])([H])O[H]
CAS No.-
Structure
Download

Cross Refrence in other databases
Super Natural   -
CTD   -
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

 






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