NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound4-hydroxyacetophenone 4-O-(6'-O-beta-D-apiofuranosyl)-beta-D-glucopyranoside
NPACT-IdNPACT01514
IUPAC1-[4-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]ethanone
Synonyms-
PubChem Id10646277
ClassCarbohydrates
In-vitro anticancer activtiy 1 cancer cell lines
In-Vivo anticancer activtiy No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyYESNEZCTDYCURG-OTCFHACESA-N
InChi1S/C19H26O11/c1-9(21)10-2-4-11(5-3-10)29-17-15(24)14(23)13(22)12(30-17)6-27-18-16(25)19(26,7-20)8-28-18/h2-5,12-18,20,22-26H,6-8H2,1H3/t12-,13-,14+,15-,16+,17-,18-,19-/m1/s1
SMILESO1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1Oc1ccc(cc1)C(=O)C)CO[C@@H]1OC[C@@](O)([C@H]1O)CO
SMART[#6]C(=O)C1=CC=C(O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)C=C1
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   No
Ghose filter   No
Veber filter   No
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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